611-55-2 (2-氨基-6,7-二甲基-4-羟基蝶啶,6,7-Dimethylpterin)

快速询单

结构式：

2-氨基-6,7-二甲基-4-羟基蝶啶MOL文件

CAS号：

611-55-2

中文名称：

2-氨基-6,7-二甲基-4-羟基蝶啶

英文名称：

6,7-Dimethylpterin

分子式：

C₈H₉N₅O

分子量：

191.189960241318

2-氨基-6,7-二甲基-4-羟基蝶啶(611-55-2)名称与标识符

名称

中文别名：

2-氨基-6,7-二甲基-4-羟基蝶啶;2-氨基-6,7-二甲基-4-羟基他啶水合物;3-甲基-4-膦酰丁烯酸三乙酯;

英文别名：

2-Amino-6,7-dimethyl-4-hydroxypteridine hydrate;2-Amino-6,7-dimethyl-4-hydroxypteridine;2-Amino-6,7-dimethyl-4-pteridinol;2-amino-6,7-dimethyl-1H-pteridin-4-one;2-Amino-6,7-dimethylpteridin-4-ol;6,7-Dimethylpterin;2-Amino-6,7-dimethyl-4(3H)-pteridinone;FT-0611195;2-Amino-6,7-dimethyl-8H-pteridin-4-one;A833067;4(3H)-Pteridinone, 2-amino-6,7-dimethyl-;2-amino-6,7-dimethyl-3h-pteridin-4-one;EINECS 210-270-3;2-amino-6,7-dimethylpteridin-4(3H)-one;SCHEMBL1024549;DTXSID10209986;2-Amino-4-hydroxy-6,7-dimethylpteridine;PD131105;AKOS015894679;4(1H)-Pteridinone, 2-amino-6,7-dimethyl-;ZKWZUPPXTCQQJL-UHFFFAOYSA-N;2-Amino-4-hydroxy-6,7-dimethylpteridine CAS Number:;TS-00256;CS-0094338;NS00034586;CHEBI:78243;AKOS022643668;2-amino-6,7-dimethyl-4,8-dihydropteridin-4-one;EN300-6734663;2-Amino-4-oxy-6,7-dimethylpteridin;W-204232;HMS1667I04;NSC-31671;Z1255382970;4-Pteridinol, 2-amino-6,7-dimethyl-;611-55-2;SR-01000643333-1;CCG-54222;MU3OYY5QRP;2-amino-6,7-dimethylpteridin-4(1H)-one;NSC 31671;Q27147701;UNII-MU3OYY5QRP;NSC31671;DTXCID60132477;2-Amino-6,7-dimethyl-pteridin-4-ol;STL512767;pteridine, 2-amino-4-hydroxy-6,7-dimethyl-;DB-053800;

标识符

MDL：

MFCD00006706

InChIKey：

ZKWZUPPXTCQQJL-UHFFFAOYSA-N

Inchi：

1S/C8H9N5O/c1-3-4(2)11-6-5(10-3)7(14)13-8(9)12-6/h1-2H3,(H3,9,11,12,13,14)

SMILES：

O=C1C2C(N=C(N)N1)=NC(C)=C(C)N=2

BRN：

168607

2-氨基-6,7-二甲基-4-羟基蝶啶(611-55-2)物化性质

实验特性

LogP : 0.90560
PSA : 97.81000
折射率 : 1.79
沸点 : 423.9°C at 760 mmHg
熔点 : >300 °C(lit.)
闪点 : 210.1°C
密度 : 1.65

计算特性

精确分子量 : 191.08100
氢键供体数量 : 3
氢键受体数量 : 6
可旋转化学键数量 : 0
同位素质量 : 191.081
重原子数量 : 14
复杂度 : 290
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） : -0.6
互变异构体数量 : 55
表面电荷 : 0
拓扑分子极性表面积 : 93.3A^2

2-氨基-6,7-二甲基-4-羟基蝶啶(611-55-2)安全信息

2-氨基-6,7-二甲基-4-羟基蝶啶(611-55-2)海关数据

海关编码：

2933990090

海关数据：

中国海关编码：

2933990090

概述：

2933990090. 其他仅含氮杂原子的杂环化合物. 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：

2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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2-氨基-6,7-二甲基-4-羟基蝶啶(611-55-2)相关文献

1. Pyrimidines. Part XXIII. Synthesis of pyrimido[4,5-b][1,4]oxazines by reaction of 4,5-diaminopyrimidine derivatives with α-halogeno-ketones
Jean Mirza,Wolfgang Pfleiderer,A. D. Brewer,Alexander Stuart,H. C. S. Wood J. Chem. Soc. C 1970 437
2. Effect of substituents of alloxazine derivatives on the selectivity and affinity for adenine in AP-site-containing DNA duplexes
Burki Rajendar,Arivazhagan Rajendran,Zhiqiang Ye,Eriko Kanai,Yusuke Sato,Seiichi Nishizawa,Marek Sikorski,Norio Teramae Org. Biomol. Chem. 2010 8 4949
3. 6,7-Dimethyllumazine as a potential ligand for selective recognition of adenine opposite an abasic site in DNA duplexes
Zhiqiang Ye,Burki Rajendar,Dai Qing,Seiichi Nishizawa,Norio Teramae Chem. Commun. 2008 6588
4. A quantitative structure–property relationship (QSPR) study of singlet oxygen generation by pteridines
Andrey A. Buglak,Taisiya A. Telegina,Mikhail S. Kritsky Photochem. Photobiol. Sci. 2016 15 801
5. Pterins. Part 2. Stereochemistry of catalytic reduction of 6-methyl- and 6,7-dimethyl-pterin and of 2,4-diamino-6-methylpteridine
Wilfred L. F. Armarego,Henning Schou J. Chem. Soc. Perkin Trans. 1 1977 2529
6. Pterins. Part 2. Stereochemistry of catalytic reduction of 6-methyl- and 6,7-dimethyl-pterin and of 2,4-diamino-6-methylpteridine
Wilfred L. F. Armarego,Henning Schou J. Chem. Soc. Perkin Trans. 1 1977 2529
7. Alloxazine as a ligand for selective binding to adenine opposite AP sites in DNA duplexes and analysis of single-nucleotide polymorphisms
Burki Rajendar,Seiichi Nishizawa,Norio Teramae Org. Biomol. Chem. 2008 6 670
8. Theoretical determination of two-photon absorption in biologically relevant pterin derivatives
Thomas Malcomson,Martin J. Paterson Photochem. Photobiol. Sci. 2020 19 1538
9. Synthesis of N3- and 2-NH2-substituted 6,7-diphenylpterins and their use as intermediates for the preparation of oligonucleotide conjugates designed to target photooxidative damage on single-stranded DNA representing the bcr–abl chimeric gene
Conor W. Crean,Russell Camier,Mark Lawler,Clarke Stevenson,R. Jeremy H. Davies,Peter H. Boyle,John M. Kelly Org. Biomol. Chem. 2004 2 3588
10. Pterins. Part 9. The structure of quinonoid dihydropterins [2-amino-7,8-dihydropteridin-4(6H)-ones]
Wilfred L. F. Armarego,Paul Waring J. Chem. Soc. Perkin Trans. 2 1982 1227

2-氨基-6,7-二甲基-4-羟基蝶啶(611-55-2) MSDS

基础信息

Name:	2-Amino-6 7-dimethyl-4-pteridinol 97% Material Safety Data Sheet
Synonym:
CAS:	611-55-2

Section 1 - Chemical Product ? MSDS Name:2-Amino-6 7-dimethyl-4-pteridinol 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
611-55-2	2-Amino-6,7-dimethyl-4-pteridinol	97%	210-270-3

Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

Section 4 - FIRST AID MEASURES
? Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

Section 5 - FIRE FIGHTING MEASURES
? General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
? General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

Section 7 - HANDLING and STORAGE
? Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
? Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 611-55-2: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
?
Physical State: Solid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: > 300 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C8H9N5O
Molecular Weight: 191.19

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Not available.

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 611-55-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Amino-6,7-dimethyl-4-pteridinol - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
?

Section 13 - DISPOSAL CONSIDERATIONS
? Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
?
IATA
No information available.
IMO
No information available.
RID/ADR
No information available.

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 611-55-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 611-55-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 611-55-2 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A