Basic information
- CAS
42242-72-8- Standard SMILES
N#CN(CCCC(NC(=O)c1ccccc1)C(N)=O)N=O- InChIKey
YFSUFQYARIQEJJ-UHFFFAOYSA-N- Molecular formula
- C13H15N5O3
- Average molar mass
- 289.29 g/mol
- Monoisotopic mass
- 289.11748936
Names & identifiers
- Preferred name
- Cyanamide, N-(4-benzamido-4-carbamoylbutyl)-N-nitroso-
- IUPAC
- N-[1-amino-5-[cyano(nitroso)amino]-1-oxopentan-2-yl]benzamide
- English name
- N-[4-(N-Cyano-N-nitrosoamino)-1-carbamoylbutyl]benzamide
- Molecular weight
- 0
Names & synonyms
42242-72-8BcnbcN-(1-Aminocarbonyl-4-cyanonitrosaminobutyl)benzamideBenzoyl-L-arginineamide, nitrosatedCyanamide, N-(4-benzamido-4-carbamoylbutyl)-N-nitroso-N-(1-Carbamoyl-4-(nitrosocyanamido)butyl)benzamide4-Benzoylamido-4-carboxamido-N-nitroso-butylcyanamideBENZAMIDE, N-(1-CARBAMOYL-4-(NITROSOCYANAMIDO)BUTYL)-DTXSID00962396N-[4-(N-Cyano-N-nitrosoamino)-1-carbamoylbutyl]benzamideN-{5-[Cyano(nitroso)amino]-1-hydroxy-1-iminopentan-2-yl}benzenecarboximidic acidN-[1-Carbamoyl-4-(cyanonitrosoamino)butyl]benzamide
Database identifiers
- CAS
42242-72-8- PubChem CID
- 39166
- DTXSID
DTXSID00962396- Nikkaji
- J67.756F
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 425
Physicochemical properties
- Boiling point
- 431.45 °C · 431.45°C (rough estimate)
- Density
- 1.2279 · 1.2279 (rough estimate)
- refractive index
- 1.65 · 1.6500 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…