Basic information
- CAS
1005-37-4- Standard SMILES
CNc1cc(Cl)nc(N)n1- InChIKey
CXWJDRREGHIEMH-UHFFFAOYSA-N- Molecular formula
- C5H7ClN4
- Average molar mass
- 158.59 g/mol
- Monoisotopic mass
- 158.0359239
Names & identifiers
- Preferred name
- 6-Chloro-n4-methylpyrimidine-2,4-diamine
- IUPAC
- 6-chloro-4-N-methylpyrimidine-2,4-diamine
- English name
- NSC36831
- Molecular formula
- C5H7ClN4
- Molecular weight
- 158.59
Names & synonyms
6-chloro-n4-methylpyrimidine-2,4-diamine1005-37-46-chloro-4-N-methylpyrimidine-2,4-diamine6-chloro-N~4~-methylpyrimidine-2,4-diamineMFCD020911082,4-Pyrimidinediamine, 6-chloro-N4-methyl-NSC368312-amino-4-methylamino-6-chloropyrimidine6-chloro-N'-methylpyrimidine-2,4-diamine6-Chloro-N4-methyl-2,4-pyrimidinediamine2,4-pyrimidinediamine, 6-chloro-N~4~-methyl-6-chloro-N~4~-methyl-2,4-pyrimidinediamine
Show more names
6-chloro-N'-methyl-pyrimidine-2,4-diamine(2-amino-6-chloro-pyrimidin-4-yl)-methyl-amine6-Chloro-N4-methylpyrimidine-2,4-diaminevfc'b'g6-chloro-N~4~-methyl-2,4-pyrimidinediamine(SALTDATA: FREE)
methyl-2,4-pyrimidinediamineSCHEMBL1576582DTXSID70905553CXWJDRREGHIEMH-UHFFFAOYSA-NALBB-013205NSC-36831AKOS005173820AS-9341
Database identifiers
- CAS
1005-37-4- PubChem CID
- 235446
- DTXSID
DTXSID70905553
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 110
Physicochemical properties
- Melting point
- 162 · 162-163 °C
- Boiling point
- 408.388 · 408.388±48.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.447 · 1.447±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- form
- solid
- pka
- 3.511 · 3.511±0.10(predicted)
- color
- Yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H317-H319-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- HazardClass
- IRRITANT
- HS Code
- 2933599590 · 2933599590
Safety & regulation
Safety data
- hs_code
- 2933599590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H317-H319-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers30 total
上海康恩博医药科技有限公司17510465506 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
Compound Net Biotechnology Inc.15266686121 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
ChemeGen 中国18818260767 · [email protected]
上海旭晗化学科技有限公司15921303235 · [email protected]
济南千叶医药技术有限公司0531-81313138 13066006660 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
天津正泽兴科技有限公司199-2257-5710 13116104906 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
泰安市嘉叶生物科技有限公司15318151873;13127280945 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
上海银林医药科技有限公司15000379094 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
常州安赛普化工有限公司0519-86305871 · [email protected]
上海蓝乐鸟实业有限公司15021845385 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
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上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
武汉万鉴生物科技有限公司13277087647 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Shaanxi Dideu Medichem Co. Ltd+86-17392712779 · [email protected]
Related reactions
7 records
Compound notes
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