Basic information
- CAS
19788-34-2- Standard SMILES
CCCN(N=O)c1ccccc1- InChIKey
NAUHUTWNLSBKCR-UHFFFAOYSA-N- Molecular formula
- C9H12N2O
- Average molar mass
- 164.2 g/mol
- Monoisotopic mass
- 164.09496301
Names & identifiers
- Preferred name
- N-Phenyl-N-propylnitrous amide
- IUPAC
- N-phenyl-N-propylnitrous amide
- English name
- Benzenamine, N-nitroso-N-propyl-
- Molecular formula
- C9H12N2O
- Molecular weight
- 164.2
Names & synonyms
N-Phenyl-N-propylnitrous amide19788-34-2DTXSID90513432RefChem:364812DTXCID50464239N-nitroso-N-propylanilineN-Nitroso-N-propyl-benzenamineSCHEMBL11356208Benzeneamine, N-nitroso-N-propyl2-oxo-1-phenyl-1-propylhydrazineBenzenamine, N-nitroso-N-propyl-
Database identifiers
- CAS
19788-34-2- PubChem CID
- 12937302
- DTXSID
DTXSID90513432
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 132
Experimental & physicochemical properties
Kovats Retention Index
1335.5
2051.2
Physicochemical properties
- Boiling point
- 281.3 · 281.3±13.0 °C(Predicted)
- Density
- 1.02 · 1.02±0.1 g/cm3(Predicted)
- pka
- -1.54 · -1.54±0.50(Predicted)
Chemistry & industry
Suppliers1 total
上海康满林生物医药有限公司68080707 15021879576 · [email protected]
Related reactions
2 records
Compound notes
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