Basic information
- CAS
13012-26-5- Standard SMILES
COc1cc(Cl)nc(N(C)C)n1- InChIKey
JPMVSOQQUQLZJU-UHFFFAOYSA-N- Molecular formula
- C7H10ClN3O
- Average molar mass
- 187.63 g/mol
- Monoisotopic mass
- 187.05123962
Names & identifiers
- Preferred name
- 4-chloro-6-methoxy-N,N-dimethylpyrimidin-2-amine
- IUPAC
- 4-chloro-6-methoxy-N,N-dimethylpyrimidin-2-amine
- English name
- N-(4-Chloro-6-methoxy-2-pyrimidinyl)-N,N-dimethylamine
- Molecular formula
- C7H10ClN3O
- Molecular weight
- 187.63
Names & synonyms
4-chloro-6-methoxy-N,N-dimethylpyrimidin-2-amine13012-26-5N-(4-chloro-6-methoxy-2-pyrimidinyl)-N,N-dimethylamineMFCD019359462-Pyrimidinamine,4-chloro-6-methoxy-N,N-dimethyl-SCHEMBL1671075DTXSID60353266JPMVSOQQUQLZJU-UHFFFAOYSA-NSBB090657AKOS0050700212G-393SSB55936
Show more names
(4-Chloro-6-methoxy-pyrimidin-2-yl)-dimethyl-amine
DB-117942CS-0329072(6-chloro-4-methoxypyrimidin-2-yl)dimethylamineAB-323/250481104-chloro-6-methoxy-N,N-dimethyl-pyrimidin-2-amine2-Pyrimidinamine, 4-chloro-6-methoxy-N,N-dimethyl-
Database identifiers
- CAS
13012-26-5- PubChem CID
- 737598
- DTXSID
DTXSID60353266
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 145
Physicochemical properties
- Melting point
- 139 · 139-142°C
- Boiling point
- 293.7 · 293.7±43.0 °C(Predicted)
- Density
- 1.252 · 1.252±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 2.36 · 2.36±0.10(Predicted)
- HazardClass
- IRRITANT
- HS Code
- 2933599590 · 2933599590
Safety & regulation
Safety data
- hs_code
- 2933599590
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers9 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
苏州施亚生物科技有限公司17715136450 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
桦特昇生物科技（武汉）有限公司027-59207879 1972026995 18140587686 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
2 records
Compound notes
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