Basic information
- CAS
754165-23-6- Standard SMILES
N#Cc1ncc(CN)cn1- InChIKey
KSWGPGWIHUIGJM-UHFFFAOYSA-N- Molecular formula
- C6H6N4
- Average molar mass
- 134.14 g/mol
Names & identifiers
- Preferred name
- 5-(Aminomethyl)pyrimidine-2-carbonitrile
- IUPAC
- 5-(aminomethyl)pyrimidine-2-carbonitrile
- English name
- 2-Pyrimidinecarbonitrile, 5-(aminomethyl)- (9CI)
- Molecular formula
- C6H6N4
- Molecular weight
- 134.14
Names & synonyms
754165-23-65-(aminomethyl)pyrimidine-2-carbonitrile5-(Aminomethyl)-2-Pyrimidinecarbonitrile2-Pyrimidinecarbonitrile, 5-(aminomethyl)- (9CI)SCHEMBL6476454SB56540s11351CS-03431542-PyriMidinecarbonitrile, 5-(aMinoMethyl)-5-(AMINOMETHYL)-2-PYRIMIDINECARBONITRILE HCL
Database identifiers
- CAS
754165-23-6
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 139
Physicochemical properties
- Boiling point
- 337 ℃ · 337℃
- Density
- 1.26 · 1.26
- Flash point
- 157 ℃ · 157℃
- pka
- 7.24 · 7.24±0.29(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Suppliers10 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
Shanghai MOF Chemical Tech Limited13661494087 18964793018 · [email protected]
上海伯韵医药科技有限公司13817873692 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
河南阿尔法化工有限公司0371-55051623 18137891487 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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