Basic information
- CAS
791786-70-4- Standard SMILES
N#CC(=NNc1[nH]cnc1C(N)=O)C(=O)NCc1ccccc1- InChIKey
HJRNUWCDFKSZPS-UHFFFAOYSA-N- Molecular formula
- C14H13N7O2
- Average molar mass
- 311.3 g/mol
- Monoisotopic mass
- 311.11307268
Names & identifiers
- Preferred name
- 2-(benzylamino)-N-[(5-carbamoyl-1H-imidazol-4-yl)amino]-2-oxoethanimidoyl cyanide
- IUPAC
- 2-(benzylamino)-N-[(5-carbamoyl-1H-imidazol-4-yl)amino]-2-oxoethanimidoyl cyanide
- English name
- 5-{2-[2-(benzylamino)-1-cyano-2-oxoethylidene]hydrazino}-1H-imidazole-4-carboxamide
- Molecular formula
- C14H13N7O2
- Molecular weight
- 311.3
Names & synonyms
5-{2-[2-(benzylamino)-1-cyano-2-oxoethylidene]hydrazino}-1H-imidazole-4-carboxamide
Database identifiers
- CAS
791786-70-4- PubChem CID
- 1040026
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 518
Physicochemical properties
- Density
- 1.464 · 1.464±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 6.172 · 6.172±0.10(predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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