Basic information
- CAS
23564-31-0- Standard SMILES
COc1ccc(OC)c(N=C(N)c2ccncc2)c1- InChIKey
CPWOXKAVRFQOTE-UHFFFAOYSA-N- Molecular formula
- C14H15N3O2
- Average molar mass
- 257.29 g/mol
- Monoisotopic mass
- 257.11642673
Names & identifiers
- Preferred name
- Isonicotinamidine, N-(2,5-dimethoxyphenyl)-
- IUPAC
- N'-(2,5-dimethoxyphenyl)pyridine-4-carboximidamide
- English name
- N-(2,5-Dimethoxyphenyl)isonicotinamidine
- Molecular formula
- C14H15N3O2
- Molecular weight
- 257.29
Names & synonyms
N-(2,5-Dimethoxyphenyl)isonicotinamidine23564-31-0BRN 0486039ISONICOTINAMIDINE, N-(2,5-DIMETHOXYPHENYL)-4-Pyridinecarboximidamide, N-(2,5-dimethoxyphenyl)-DTXSID50178162RefChem:349653DTXCID80100653N'-(2,5-dimethoxyphenyl)pyridine-4-carboximidamide
Database identifiers
- CAS
23564-31-0- PubChem CID
- 31992
- DTXSID
DTXSID50178162- Nikkaji
- J68.793F
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 303
Physicochemical properties
- Boiling point
- 398.9 · 398.9±52.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- pka
- 4.03 · 4.03±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…