Basic information
- CAS
68426-46-0- Standard SMILES
CN(N=O)C(=O)Oc1ccccc1- InChIKey
LTJREOVCWCRZIZ-UHFFFAOYSA-N- Molecular formula
- C8H8N2O3
- Average molar mass
- 180.16 g/mol
- Monoisotopic mass
- 180.05349212
Names & identifiers
- Preferred name
- Carbamic acid, N-methyl-N-nitroso-, phenyl ester
- IUPAC
- phenyl N-methyl-N-nitrosocarbamate
Names & synonyms
N-Nitroso-N-methylphenylcarbamateCARBAMIC ACID, N-METHYL-N-NITROSO-, PHENYL ESTERBRN 2264986DTXSID70218539RefChem:332705DTXCID70141030Carbamic acid, NmethylNnitroso, phenyl esterphenyl methyl(nitroso)carbamate68426-46-0NitrosomethylphenylcarbamatePhenyl methylnitrosocarbamate
Database identifiers
- CAS
68426-46-0- PubChem CID
- 50199
- DTXSID
DTXSID70218539- Nikkaji
- J67.099E
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 190
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Nitrosamines
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummarySee NITROSAMINES.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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