5440-00-6 (5,6-二氨基-1,3-二甲基脲嘧啶,5,6-diamino-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione)

快速询单

结构式：

5,6-二氨基-1,3-二甲基脲嘧啶MOL文件

CAS号：

5440-00-6

中文名称：

5,6-二氨基-1,3-二甲基脲嘧啶

英文名称：

5,6-diamino-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

分子式：

C₆H₁₀N₄O₂

分子量：

170.16920042038

API：

Doxofylline

5,6-二氨基-1,3-二甲基脲嘧啶(5440-00-6)名称与标识符

名称

中文别名：

5,6-二氨基-1,3-二甲基脲嘧啶;5,6-二氨基-1,3-二甲基尿嘧啶;5,6-二氨基-1,3-二甲基尿苷水合物;5,6-二氨基-1,3-二甲基-2,4(1H,3H)-嘧啶二酮;5,6-二氨基-1,3-二甲基尿嘧啶;4,5-二氨基-1,3-二甲基尿嘧啶;5,6-二氨基-1,3-二甲基-嘧啶-2,4-二酮;5,6-二氨基-1,3-二甲基嘧啶-2,4-二酮;5,6-二氨基-1,3-二甲基尿嘧啶水合物;5,6-二氨基-1,3-二甲基脲;尿嘧啶,5,6-二氨基-1,3-二甲基-;

英文别名：

5,6-Diamino-1,3-dimethylpyrimidine-2,4(1H,3H)-dione;2,4(1H,3H)-Pyrimidinedione, 5,6-diamino-1,3-dimethyl-;3h)-pyrimidinedione,5,6-diamino-1,3-dimethyl-4(1h;5,6-Diamino-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione;Uracil, 5,6-diamino-1,3-dimethyl-;4,5-DIAMINO-1,3-DIMETHYLURACIL;5,6-DIAMINO-1,3-DIMETHYLPYRIMIDINE-2,4(1H,3H)-DIONE 1,3-DIMETHYL-5,6-DIAMINOURACIL;5,6-Diamino-1,3-Dimethyl Uracil;5,6-Diamino-1,3-dimethyluracil hydrate;5,6-diamino-1,3-dimethylpyrimidine-2,4-dione;4,5-Diamino-1,3-dimethyl-2,6-dioxotetrahydropyrimidine;NSC 15493;Uracil,5,6-diamino-1,3-dimethyl- (6CI,7CI,8CI);1,3-Dimethyl-5,6-diaminouracil;4,5-Diamino-1,3-dimethylpyrimidine-2,6-dione;5,6-Diamino-1,3-dimethyl-2,4-pyrimidinedione;5,6-Diamino-1,3-dimethyluracil;5,6-diamino-1,3 -dimethyluracil;5,6-Diamino-1,3-dimethylurea;NSC-15493;A870464;BCP06198;5440-00-6;EN300-26262;5,6-diamino-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione;1,3-dimethyl-4,5-diamino-1H,3H-pyrimidin-2,6-dione;F2135-0748;D94720;5,3-dimethyluracil;AKOS005176457;UNII-PBG0JXV865;FT-0600444;5,6-diamino-1,3dimethyluracil;NSC15493;NS00033074;5,6-diamino-1,3-dimethyl-1H-pyrimidine-2,4-dione;5.6-diamino-1,3-dimethyl uracil;SY168977;Uracil,6-diamino-1,3-dimethyl-;PBG0JXV865;4,3-dimethyluracil;Oprea1_377416;W-105630;MFCD00006551;DTXSID8063886;EINECS 226-621-9;5,6-Diamino-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione #;VS-03631;SCHEMBL88218;SB57549;CS-B1145;BP-10015;2,3H)-Pyrimidinedione, 5,6-diamino-1,3-dimethyl-;5,6-DiaMino-1,3-diMethyluracil hydrate technical grade;2,4(1H,3H);STK803540;DTXCID1041712;DB-052563;BBL012979;ALBB-024598;pyrimidine, 4,5-diamino-1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-;

标识符

MDL：

MFCD00149431

InChIKey：

BGQNOPFTJROKJE-UHFFFAOYSA-N

Inchi：

1S/C6H10N4O2/c1-9-4(8)3(7)5(11)10(2)6(9)12/h7-8H2,1-2H3

SMILES：

O=C1N(C)C(C(=C(N)N1C)N)=O

BRN：

157451

5,6-二氨基-1,3-二甲基脲嘧啶(5440-00-6)物化性质

实验特性

LogP : -0.58920
PSA : 96.04000
折射率 : 1.58
沸点 : 243.6±50.0 ºC (760 Torr),
熔点 : 210-214 °C (dec.) (lit.)
闪点 : 101.1±30.1 ºC,
溶解度 : 微溶 (8.5 g/L) (25 ºC),
颜色与性状 : 固体
溶解性 : 可溶于水
酸度系数(pKa) : 4.42±0.70(Predicted)
密度 : 1.350±0.06 g/cm3 (20 ºC 760 Torr),

计算特性

精确分子量 : 170.08000
氢键供体数量 : 2
氢键受体数量 : 6
可旋转化学键数量 : 0
同位素质量 : 170.08
重原子数量 : 12
复杂度 : 283
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 无
互变异构体数量 : 5
表面电荷 : 0
拓扑分子极性表面积 : 92.7A^2

5,6-二氨基-1,3-二甲基脲嘧啶(5440-00-6)安全信息

WGK Germany： 3
安全说明： H303+H313+H333
危险品运输编号： NONH for all modes of transport
危害声明：H303吞入可能有害+H313皮肤接触可能有害+H333吸入可能对身体有害
警示性声明：P264+P280+P305+P351+P338+P337+P313
储存条件： Store at recommended temperature
信号词： warning
FLUKA BRAND F CODES： 10-34

5,6-二氨基-1,3-二甲基脲嘧啶(5440-00-6)国际标准相关数据

EINECS：

226-621-9

5,6-二氨基-1,3-二甲基脲嘧啶(5440-00-6)海关数据

海关编码：

2933599090

海关数据：

中国海关编码：

2933599090

概述：

2933599090. 其他结构上有嘧啶环的化合物(包括其他结构上有哌嗪环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

申报要素：

品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期

Summary：

2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

5,6-二氨基-1,3-二甲基脲嘧啶(5440-00-6)推荐厂家更多厂家(41)

公司名称	手机号/电话	联系人	QQ	询单
湖北齐飞医药化工有限公司	18071128683 027-59322506	汪经理18071128683（微信同号）	1438280077	询单
上海吉至生化科技有限公司	18117592386 021-57481218	吉至试剂	3007522982	询单
上海源叶生物科技有限公司	15026964105 15026964105	汤思磊	2881489226	询单
深圳菲斯生物科技有限公司	18925202235	周美娇	2850179284	询单
湖北摆渡化学有限公司	13517219350 13517219350	彭星	1400878899	询单
湖北瑞诺医药科技有限公司	13165688766	汪经理	3008058303	询单
湖北达豪化工有限公司	13986246535	刘紫莹	1400878822	询单
湖北成海化工有限公司	13986212397 027-59220433	张思胧	1400858822	询单
湖北云镁科技有限公司	18327059871 027-59206672	方经理	235010015	询单
湖北信康药化有限公司化学研究所	18827031272 027-59308705	肖经理	1438980011	询单

5,6-二氨基-1,3-二甲基脲嘧啶(5440-00-6)上下游

8-苄基茶碱

5,6-二氨基-1,3-二甲基脲嘧啶(5440-00-6)参考资料

Reaxys RN：

Beilstein：

157451

PubChem CID：

79501

5,6-二氨基-1,3-二甲基脲嘧啶(5440-00-6) MSDS

基础信息

Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
  Product identifiers
    Product name        : 5,6-Diamino-1,3-dimethyluracil hydrate
    CAS-No.        : 5440-00-6

Section 2. HAZARDS IDENTIFICATION
  Classification of the substance or mixture
    Not a hazardous substance or mixture according to Regulation (EC) No 1272/2008
    Not a hazardous substance or mixture according to EC-directives 67/548/EEC or 1999/45/EC.
  Label elements
    The product does not need to be labelled in accordance with EC directives or respective national laws.
  Other hazards - none

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substances
    Synonyms        : 5,6-Diamino-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione
    Formula        : C6H10N4O2 · xH2O
    Molecular Weight        : 170,17 g/mol

Section 4. FIRST AID MEASURES
  Description of first aid measures
  If inhaled
    If breathed in, move person into fresh air. If not breathing, give artificial respiration.
  In case of skin contact
    Wash off with soap and plenty of water.
  In case of eye contact
    Flush eyes with water as a precaution.
  If swallowed
    Never give anything by mouth to an unconscious person. Rinse mouth with water.
  Most important symptoms and effects, both acute and delayed
  Indication of any immediate medical attention and special treatment needed
    no data available

Section 5. FIREFIGHTING MEASURES
  Extinguishing media
  Suitable extinguishing media
    Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
  Special hazards arising from the substance or mixture
    Carbon oxides, nitrogen oxides (NOx)
  Advice for firefighters
    Wear self contained breathing apparatus for fire fighting if necessary.
  Further information
    no data available

Section 6. ACCIDENTAL RELEASE MEASURES
  Personal precautions, protective equipment and emergency procedures
    Avoid dust formation. Avoid breathing vapors, mist or gas.
  Environmental precautions
    Do not let product enter drains.
  Methods and materials for containment and cleaning up
    Sweep up and shovel. Keep in suitable, closed containers for disposal.
  Reference to other sections
    For disposal see section 13.

Section 7. HANDLING AND STORAGE
  Precautions for safe handling
    Provide appropriate exhaust ventilation at places where dust is formed.Normal measures for preventive fire
    protection.
  Conditions for safe storage, including any incompatibilities
    Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
    Store under inert gas.
  Specific end uses
    no data available

Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
  Control parameters
  Components with workplace control parameters
  Exposure controls
  Appropriate engineering controls
    General industrial hygiene practice.
  Personal protective equipment
  Eye/face protection
    Use equipment for eye protection tested and approved under appropriate government standards
    such as NIOSH (US) or EN 166(EU).
  Skin protection
    Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
    (without touching glove's outer surface) to avoid skin contact with this product. Dispose of
    contaminated gloves after use in accordance with applicable laws and good laboratory practices.
    Wash and dry hands.
    The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
    the standard EN 374 derived from it.
  Body Protection
    Choose body protection in relation to its type, to the concentration and amount of dangerous
    substances, and to the specific work-place., The type of protective equipment must be selected
    according to the concentration and amount of the dangerous substance at the specific workplace.
  Respiratory protection
    Respiratory protection is not required. Where protection from nuisance levels of dusts are desired,
    use type N95 (US) or type P1 (EN 143) dust masks. Use respirators and components tested and
    approved under appropriate government standards such as NIOSH (US) or CEN (EU).

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Information on basic physical and chemical properties
    a) Appearance        Form: solid
    b) Odour        no data available
    c) Odour Threshold        no data available
    d) pH        no data available
    e) Melting point/freezing        Melting point/range: 210 - 214 °C - dec.
    point
    f) Initial boiling point and no data available
    boiling range
    g) Flash point        no data available
    h) Evaporation rate        no data available
    i) Flammability (solid, gas) no data available
    j) Upper/lower        no data available
    flammability or
    explosive limits
    k) Vapour pressure        no data available
    l) Vapour density        no data available
    m) Relative density        no data available
    n) Water solubility        no data available
    o) Partition coefficient: n- no data available
    octanol/water
    p) Autoignition        no data available
    temperature
    q) Decomposition        no data available
    temperature
    r) Viscosity        no data available
    s) Explosive properties        no data available
    t) Oxidizing properties        no data available
  Other safety information
    no data available

Section 10. STABILITY AND REACTIVITY
  Reactivity
    no data available
  Chemical stability
    no data available
  Possibility of hazardous reactions
    no data available
  Conditions to avoid
    no data available
  Incompatible materials
    Strong oxidizing agents
  Hazardous decomposition products
    Other decomposition products - no data available

Section 11. TOXICOLOGICAL INFORMATION
  Information on toxicological effects
  Acute toxicity
    no data available
  Skin corrosion/irritation
    no data available
  Serious eye damage/eye irritation
    no data available
  Respiratory or skin sensitization
    no data available
  Germ cell mutagenicity
    no data available
  Carcinogenicity
    IARC:        No component of this product present at levels greater than or equal to 0.1% is identified as
    probable, possible or confirmed human carcinogen by IARC.
  Reproductive toxicity
    no data available
  Specific target organ toxicity - single exposure
    no data available
  Specific target organ toxicity - repeated exposure
    no data available
  Aspiration hazard
    no data available
  Potential health effects
  Inhalation
    May be harmful if inhaled. May cause respiratory tract irritation.
  Ingestion        May be harmful if swallowed.
  Skin        May be harmful if absorbed through skin. May cause skin irritation.
  Eyes        May cause eye irritation.
  Additional Information
    RTECS: Not available

Section 12. ECOLOGICAL INFORMATION
  Toxicity
    no data available
  Persistence and degradability
    no data available
  Bioaccumulative potential
    no data available
  Mobility in soil
    no data available
  Results of PBT and vPvB assessment
    no data available
  Other adverse effects
    no data available

Section 13. DISPOSAL CONSIDERATIONS
  Waste treatment methods
  Product
    Offer surplus and non-recyclable solutions to a licensed disposal company.
  Contaminated packaging
    Dispose of as unused product.

Section 14. TRANSPORT INFORMATION
  UN number
    ADR/RID: -        IMDG: -        IATA: -
  UN proper shipping name
    ADR/RID: Not dangerous goods
    IMDG: Not dangerous goods
    IATA:        Not dangerous goods
  Transport hazard class(es)
    ADR/RID: -        IMDG: -        IATA: -
  Packaging group
    ADR/RID: -        IMDG: -        IATA: -
  Environmental hazards
    ADR/RID: no        IMDG Marine pollutant: no        IATA: no
  Special precautions for user
    no data available

Section 15. REGULATORY INFORMATION
    This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
  Safety, health and environmental regulations/legislation specific for the substance or mixture
    no data available
  Chemical Safety Assessment

SECTION 16 - ADDITIONAL INFORMATION
N/A