CAS 77924-05-1 N,N-bis(propan-2-yl)pyridine-4-carboxamide (HCID 234345)

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Basic information

CAS: 77924-05-1
Standard SMILES: CC(C)N(C(=O)c1ccncc1)C(C)C
InChIKey: HLRSGDOBQLTYNO-UHFFFAOYSA-N
Molecular formula: C12H18N2O
Average molar mass: 206.28 g/mol
Monoisotopic mass: 206.1419132

Names & identifiers

Preferred name: N,N-bis(propan-2-yl)pyridine-4-carboxamide
IUPAC: N,N-di(propan-2-yl)pyridine-4-carboxamide
English name: N,N-Diisopropylisonicotinamide
Molecular formula: C12H18N2O
Molecular weight: 206.28

Names & synonyms

N,N-bis(propan-2-yl)pyridine-4-carboxamideRefChem:822181654-391-3N,N-DIISOPROPYLISONICOTINAMIDE77924-05-1N,N-DiisopropylosonicotinamideN,N-di(propan-2-yl)pyridine-4-carboxamideN,N-diisopropylpyridine-4-carboxamideMFCD00085693NSC34075SCHEMBL4103834CHEMBL2253149

Show more names

Nicotinamide Impurity 91N,N-Diisopropylsonicotinamide4-Pyridinecarboxamide, N,N-bis(1-methylethyl)-

SCHEMBL27857864DTXSID00283896HLRSGDOBQLTYNO-UHFFFAOYSA-N4-diisopropylaminocarbonyl pyridineDI-ISOPROPYL ISONICOTINAMIDENSC-34075AKOS002963902AS-60260

Database identifiers

CAS: 77924-05-1
PubChem CID: 234345
DTXSID: DTXSID00283896
ChEMBL: CHEMBL2253149
EC Number: 654-391-3
Nikkaji: J2.594.991I

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 33.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 200

Physicochemical properties

Boiling point: 327.8 · 327.8±15.0 °C(Predicted)
Density: 1.007 · 1.007±0.06 g/cm3(Predicted)
pka: 4.1 · 4.10±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H335-H302-H319
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H335-H302-H319
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501