Isonicotinamidine, N-(p-methoxyphenyl)-

HCID 32008

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Basic information

CAS: 23565-15-3
Standard SMILES: COc1ccc(N=C(N)c2ccncc2)cc1
InChIKey: IHSQITMFXQQHOU-UHFFFAOYSA-N
Molecular formula: C13H13N3O
Average molar mass: 227.26 g/mol
Monoisotopic mass: 227.10586205

Names & identifiers

Preferred name: Isonicotinamidine, N-(p-methoxyphenyl)-
IUPAC: N'-(4-methoxyphenyl)pyridine-4-carboximidamide
English name: N-(p-Methoxyphenyl)isonicotinamidine
Molecular formula: C13H13N3O
Molecular weight: 227.26

Names & synonyms

N-(p-Methoxyphenyl)isonicotinamidineBRN 047973723565-15-3ISONICOTINAMIDINE, N-(p-METHOXYPHENYL)-4-Pyridinecarboximidamide, N-(4-methoxyphenyl)-DTXSID80178190RefChem:349661DTXCID10100681N'-(4-methoxyphenyl)pyridine-4-carboximidamide

Database identifiers

CAS: 23565-15-3
PubChem CID: 32008
DTXSID: DTXSID80178190
Nikkaji: J68.797I

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 60.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 253

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