CAS 131052-82-9 4-(Aminomethyl)pyridin-2(1H)-one (HCID 15079301)

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Basic information

CAS: 131052-82-9
Standard SMILES: NCc1cc[nH]c(=O)c1
InChIKey: ZYOSFZHXYZSRMA-UHFFFAOYSA-N
Molecular formula: C6H8N2O
Average molar mass: 124.14 g/mol
Monoisotopic mass: 124.06366288

Names & identifiers

Preferred name: 4-(Aminomethyl)pyridin-2(1H)-one
IUPAC: 4-(aminomethyl)-1H-pyridin-2-one
English name: 2(1H)-Pyridinone,4-(aminomethyl)-(9CI)
Molecular formula: C6H8N2O
Molecular weight: 124.14

Names & synonyms

131052-82-94-(Aminomethyl)pyridin-2(1H)-one4-(aminomethyl)-1,2-dihydropyridin-2-one4-(AMINOMETHYL)-2(1H)-PYRIDINONE4-(AMINOMETHYL)PYRIDIN-2-OL4-(aminomethyl)-1H-pyridin-2-oneMFCD06213657MFCD22415181SCHEMBL2595424SCHEMBL9253968CHEMBL4559667SCHEMBL27396125

Show more names

2(1H)-Pyridinone, 4-(aminomethyl)-2(1H)-Pyridinone,4-(aminomethyl)-(9CI)

DTXSID40567920ZYOSFZHXYZSRMA-UHFFFAOYSA-NAKOS009345590AKOS016005808PB31062SB10533BS-13077SY098801

Database identifiers

CAS: 131052-82-9
PubChem CID: 15079301
DTXSID: DTXSID40567920
ChEMBL: CHEMBL4559667

Properties

Computed structural properties

XLogP: -1.4
Topological polar surface area: 55.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 181

Physicochemical properties

Boiling point: 356.5 · 356.5±34.0 °C(Predicted)
Density: 1.146 · 1.146±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
pka: 11.74 · 11.74±0.10(Predicted)
Appearance: white solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P264-P270-P301+P312-P330-P501-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405