Basic information
- CAS
23565-10-8- Standard SMILES
NC(=Nc1ccc(Cl)cc1)c1ccncc1- InChIKey
CNBCJBZXCQVCGW-UHFFFAOYSA-N- Molecular formula
- C12H10ClN3
- Average molar mass
- 231.68 g/mol
- Monoisotopic mass
- 231.056325
Names & identifiers
- Preferred name
- Isonicotinamidine, N-(p-chlorophenyl)-
- IUPAC
- N'-(4-chlorophenyl)pyridine-4-carboximidamide
- English name
- N-(p-Chlorophenyl)isonicotinamidine
- Molecular formula
- C12H10ClN3
- Molecular weight
- 231.68
Names & synonyms
N-(p-Chlorophenyl)isonicotinamidineISONICOTINAMIDINE, N-(p-CHLOROPHENYL)-BRN 047671023565-10-84-Pyridinecarboximidamine, N-(4-chlorophenyl)-DTXSID90178186RefChem:349660DTXCID20100677N'-(4-chlorophenyl)pyridine-4-carboximidamide4-Pyridinecarboximidamide, N-(4-chlorophenyl)-
Database identifiers
- CAS
23565-10-8- PubChem CID
- 32004
- DTXSID
DTXSID90178186- Nikkaji
- J68.790A
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 51.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Melting point
- 113 · 113-114 °C(Solv: acetone (67-64-1); hexane (110-54-3))
- Boiling point
- 351.9 · 351.9±48.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- pka
- 4.93 · 4.93±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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