Basic information
- CAS
70583-21-0- Standard SMILES
CN(CNC(=O)OCc1ccccc1)N=O- InChIKey
KGNPYIWSGQVZGD-UHFFFAOYSA-N- Molecular formula
- C10H13N3O3
- Average molar mass
- 223.23 g/mol
- Monoisotopic mass
- 223.09569129
Names & identifiers
- Preferred name
- Carbamic acid, ((methylnitrosamino)methyl)-, benzyl ester
- IUPAC
- benzyl N-[[methyl(nitroso)amino]methyl]carbamate
Names & synonyms
CARBAMIC ACID, ((METHYLNITROSAMINO)METHYL)-, BENZYL ESTER70583-21-0BRN 2466214((Methylnitrosamino)methyl)carbamic acid benzyl esterSCHEMBL11496564DTXSID00220862Benzyl {[methyl(nitroso)amino]methyl}carbamate
Database identifiers
- CAS
70583-21-0- PubChem CID
- 51112
- DTXSID
DTXSID00220862- Nikkaji
- J69.347B
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 71 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 229
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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