Isonicotinamidine, N-(o-hydroxyphenyl)-

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Basic information

CAS: 23564-33-2
Standard SMILES: NC(=Nc1ccccc1O)c1ccncc1
InChIKey: MGSWEZBRDLVJDJ-UHFFFAOYSA-N
Molecular formula: C12H11N3O
Average molar mass: 213.23 g/mol
Monoisotopic mass: 213.09021198

Names & identifiers

Preferred name: Isonicotinamidine, N-(o-hydroxyphenyl)-
IUPAC: N'-(2-hydroxyphenyl)pyridine-4-carboximidamide
English name: N-(o-Hydroxyphenyl)isonicotinamidine
Molecular formula: C12H11N3O
Molecular weight: 213.24

Names & synonyms

23564-33-2ISONICOTINAMIDINE, N-(o-HYDROXYPHENYL)-RefChem:1087595N-(o-Hydroxyphenyl)isonicotinamidineBRN 04767344-Pyridinecarboximidamide, N-(2-hydroxyphenyl)-

Database identifiers

CAS: 23564-33-2
PubChem CID: 31994
Nikkaji: J68.795B

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 71.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 249

Physicochemical properties

Boiling point: 356.7 · 356.7±48.0 °C(Predicted)
Density: 1.23 · 1.23±0.1 g/cm3(Predicted)
pka: 9.74 · 9.74±0.35(Predicted)

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Compound notes

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