Isonicotinamidine, N-2-naphthyl-

HCID 31996

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Basic information

CAS: 23564-66-1
Standard SMILES: NC(=Nc1ccc2ccccc2c1)c1ccncc1
InChIKey: ZNOAHNFNDCYOFD-UHFFFAOYSA-N
Molecular formula: C16H13N3
Average molar mass: 247.29 g/mol
Monoisotopic mass: 247.11094743

Names & identifiers

Preferred name: Isonicotinamidine, N-2-naphthyl-
IUPAC: N'-naphthalen-2-ylpyridine-4-carboximidamide
English name: N-(2-Naphtyl)isonicotinamidine
Molecular formula: C16H13N3
Molecular weight: 247.29

Names & synonyms

N-2-Naphthylisonicotinamidine23564-66-1ISONICOTINAMIDINE, N-2-NAPHTHYL-BRN 04787024-Pyridinecarboximidamide, N-2-naphthalenyl-DTXSID30178165RefChem:349663DTXCID60100656N-(Naphthalen-2-yl)isonicotinimidamideN-(naphthalen-2-yl)pyridine-4-carboximidamideN'-(NAPHTHALEN-2-YL)PYRIDINE-4-CARBOXIMIDAMIDEN-(2-Naphtyl)isonicotinamidine

Database identifiers

CAS: 23564-66-1
PubChem CID: 31996
DTXSID: DTXSID30178165
Nikkaji: J68.799E

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 51.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 19
Formal charge: 0
Complexity: 320

Physicochemical properties

Boiling point: 421.8 · 421.8±37.0 °C(Predicted)
Density: 1.17 · 1.17±0.1 g/cm3(Predicted)
pka: 5.48 · 5.48±0.50(Predicted)

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