N-Nitroso-N-(1-phenylethyl)urea
Basic information
- CAS
102996-62-3- Standard SMILES
CC(c1ccccc1)N(N=O)C(N)=O- InChIKey
FTDGCDAWXUYWNR-UHFFFAOYSA-N- Molecular formula
- C9H11N3O2
- Average molar mass
- 193.2 g/mol
- Monoisotopic mass
- 193.0851266
Names & identifiers
- Preferred name
- N-Nitroso-N-(1-phenylethyl)urea
- IUPAC
- 1-nitroso-1-(1-phenylethyl)urea
Names & synonyms
102996-62-3N-Nitroso-N-(1-phenylethyl)urea1-nitroso-1-(1-phenylethyl)ureaUrea, N-nitroso-N-(1-phenylethyl)-N-nitroso-1-phenylethylureaDTXSID90908147N-nitroso-N-(1-phenylethyl)-UreaN-Nitroso-N-(1-phenylethyl)carbamimidic acid
Database identifiers
- CAS
102996-62-3- PubChem CID
- 149185
- DTXSID
DTXSID90908147
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 75.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 214
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Compound notes
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