Basic information
- CAS
79073-94-2- Standard SMILES
CC(O)c1ccc(N(C)N=O)cc1- InChIKey
KVQUJTYBWCGJRS-UHFFFAOYSA-N- Molecular formula
- C9H12N2O2
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.08987763
Names & identifiers
- Preferred name
- alpha-Methyl-p-(methylnitrosoamino)benzyl alcohol
- IUPAC
- N-[4-(1-hydroxyethyl)phenyl]-N-methylnitrous amide
Names & synonyms
79073-94-2alpha-Methyl-p-(methylnitrosoamino)benzyl alcoholN-[4-(1-hydroxyethyl)phenyl]-N-methylnitrous amideBENZYL ALCOHOL, alpha-METHYL-p-(METHYLNITROSOAMINO)-DTXSID701000246
Database identifiers
- CAS
79073-94-2- PubChem CID
- 54341
- DTXSID
DTXSID701000246- Nikkaji
- J69.048A
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 167
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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