58717-02-5 (D-环己基丙氨酸; (2R)-2-氨基-3-环己基丙酸,(R)-2-Amino-3-cyclohexylpropanoic acid)

CAS号:
58717-02-5
中文名称:
D-环己基丙氨酸; (2R)-2-氨基-3-环己基丙酸
英文名称:
(R)-2-Amino-3-cyclohexylpropanoic acid
分子式:
C9H17NO2
分子量:
171.23678278923
简介:
(R)-2-amino-3-cyclohexylpropanoic acid 是一种丙氨酸衍生物。

D-环己基丙氨酸; (2R)-2-氨基-3-环己基丙酸(58717-02-5)名称与标识符

名称

中文别名:
(2R)-2-氨基-3-环己基丙酸;D-环己基丙氨酸;3-环己基-D-丙氨酸 水合物;3,3-二氟环丁基胺;Cyclohexanepropanoicacid, a-amino-, (aR)-D-环己基丙氨酸H-D-Cha-OH;3-环己基-D-丙氨酸;D-环已基丙氨酸;(R)-2-氨基-3-环己基丙酸;
英文别名:
(R)-2-Amino-3-cyclohexylpropanoic acid;Cyclohexanepropanoicacid, a-amino-, (R)-;(2R)-2-Amino-3-cyclohexylpropanoic acid;D-3-Cyclohexylalanine;D-Cyclohexylalanine;(R)-3-CYCLOHEXYLALANINE;Cyclohexanepropanoicacid, a-amino-, (aR)-;D-CHA-OH;D-Cha-OH.HCl;H-β-Cyclohexyl-D-Ala-OH · HCl;β-Cyclohexyl-D-alanine;3-Cyclohexyl-D-alanine hydrate;H-D-CHA-OH;3-Cyclohexyl-D-alanine;H-D-Cha-OH HCl;CX76B5H6YN;H--Cyclohexyl-D-Ala-OH HCl;(R)-2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID;2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID;3-Cyclohexylalanine, D-;h-D-cha-oh, AldrichCPR;(R)-D-CYCLOHEXYLALANINE;BETA-CYCLOHEXYL-D-ALANINE;ORQXBVXKBGUSBA-MRVPVSSYSA-N;Z995228686;AKOS016842822;58717-02-5;C2659;.BETA.-CYCLOHEXYL-D-ALANINE;DS-2120;Q27467924;AC-25313;(R)-2-amino-3-cyclohexylpropanoicacid;CYCLOHEXANEPROPANOIC ACID, ALPHA-AMINO-, (ALPHAR)-;CHEMBL441123;MFCD00153485;(R)-alpha-aminocyclohexanepropionic acid;CYCLOHEXANEPROPANOIC ACID, .ALPHA.-AMINO-, (.ALPHA.R)-;EN300-199910;A831989;(2R)-2-azanyl-3-cyclohexyl-propanoic acid;BDBM50179724;CS-B1050;SCHEMBL503347;HY-60040;UNII-CX76B5H6YN;

标识符

MDL:
MFCD00153485
InChIKey:
ORQXBVXKBGUSBA-MRVPVSSYSA-N
Inchi:
1S/C9H17NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h7-8H,1-6,10H2,(H,11,12)/t8-/m1/s1
SMILES:
OC([C@@H](CC1CCCCC1)N)=O

D-环己基丙氨酸; (2R)-2-氨基-3-环己基丙酸(58717-02-5)物化性质

实验特性

  • LogP : 2.06900
  • PSA : 63.32000
  • 颜色与性状 : White to Yellow Solid
  • 光学活性 : [α]20/D −12±1°, c = 1% in 1 M HCl (dry matter)
  • 密度 : 1.075

计算特性

  • 精确分子量 : 171.12600
  • 氢键供体数量 : 2
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 3
  • 同位素质量 : 171.125928785g/mol
  • 重原子数量 : 12
  • 复杂度 : 153
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 1
  • 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) : -0.3
  • 拓扑分子极性表面积 : 63.3

D-环己基丙氨酸; (2R)-2-氨基-3-环己基丙酸(58717-02-5)安全信息

D-环己基丙氨酸; (2R)-2-氨基-3-环己基丙酸(58717-02-5)海关数据

海关编码:
2922499990
海关数据:

中国海关编码:

2922499990

概述:

2922499990 其他氨基酸及其酯及它们的盐(含有一种以上含氧基的除外). 增值税率:17.0% 退税率:9.0% 监管条件:AB(入境货物通关单,出境货物通关单) 最惠国关税:6.5% 普通关税:30.0%

申报要素:

品名, 成分含量, 用途, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装

监管条件:

A.入境货物通关单
B.出境货物通关单

检验检疫类别:

P.进境动植物、动植物产品检疫
Q.出境动植物、动植物产品检疫
R.进口食品卫生监督检验
S.出口食品卫生监督检验
M.进口商品检验
N.出口商品检验

Summary:

HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%

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D-环己基丙氨酸; (2R)-2-氨基-3-环己基丙酸(58717-02-5)上下游

D-环己基丙氨酸; (2R)-2-氨基-3-环己基丙酸(58717-02-5)参考资料

Beilstein:
3197315
PubChem CID:

D-环己基丙氨酸; (2R)-2-氨基-3-环己基丙酸(58717-02-5) MSDS

基础信息


Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
  Product identifiers
    Product name        : 3-Cyclohexyl-D-alanine hydrate    
    CAS-No.        : 58717-02-5    
  Relevant identified uses of the substance or mixture and uses advised against
    Identified uses        : Laboratory chemicals, Manufacture of substances    
  
  

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
    Caution - substance not yet tested completely.
  Other hazards - none

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substances
    Formula        : C9H17NO2 · xH2O    
    Molecular Weight        : 171,24 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
    To the best of our knowledge, the chemical, physical, and toxicological properties have not been
    thoroughly investigated.
  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.
  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: crystalline    
    Colour: white
    b) Odour        no data available    
    c) Odour Threshold        no data available    
    d) pH        no data available    
    e) Melting point/freezing        no data available    
    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.    
  Signs and Symptoms of Exposure
    To the best of our knowledge, the chemical, physical, and toxicological properties have not been
    thoroughly investigated.
  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
N/A


SECTION 16 - ADDITIONAL INFORMATION
N/A