3-Methylphenyl methylnitrosocarbamate
Basic information
- CAS
58139-35-8- Standard SMILES
Cc1cccc(OC(=O)N(C)N=O)c1- InChIKey
NZYUVIMKVYSWHV-UHFFFAOYSA-N- Molecular formula
- C9H10N2O3
- Average molar mass
- 194.19 g/mol
- Monoisotopic mass
- 194.06914219
Names & identifiers
- Preferred name
- 3-Methylphenyl methylnitrosocarbamate
- IUPAC
- (3-methylphenyl) N-methyl-N-nitrosocarbamate
- English name
- 3-METHYLPHENYL-N-NITROSO-N-METHYLCARBAMATE
- Molecular formula
- C9H10N2O3
- Molecular weight
- 194.19
Names & synonyms
3-Methylphenyl methylnitrosocarbamate58139-35-83-Methylphenyl N-methyl-N-nitrosocarbamateN-Nitroso-3-tolyl-N-methylcarbamateNitroso-mtmcCCRIS 1221Tsumacide, nitrosatedTsumacide, nitrosated [Japanese]3-Tolyl N-methylcarbamate, nitrosated3-Methylphenyl N-nitroso-N-methylcarbamateCarbamic acid, methylnitroso-, m-tolyl esterCarbamic acid, methylnitroso-, 3-methylphenyl ester
Show more names
Nitroso Tsumacide3-METHYLPHENYL-N-NITROSO-N-METHYLCARBAMATEN-Methyl-N-nitrosocarbamic acid 3-methylphenylMethylnitrosocarbamic acid 3-methylphenyl esterN-Methyl-N-nitrosocarbamic acid 3-methylphenyl esterCarbamic acid, N-methyl-N-nitroso-, 3-methylphenyl ester
A3QLT8ARE4m-Tolyl methyl(nitroso)carbamateCarbamic acid, methylnitroso-, 3-methylphenyl ester (9CI)CARBAMIC ACID, N-METHYL-N-NITROSO-, m-TOLYL ESTERDTXSID60206869AKOS0062782223-methylphenyl methyl(nitroso)carbamateMethylphenyl methylnitrosocarbamate, 3-
Database identifiers
- CAS
58139-35-8- PubChem CID
- 42646
- DTXSID
DTXSID60206869- UNII
- A3QLT8ARE4
- Nikkaji
- J1.086C
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- Boiling point
- 330.62 °C · 330.62°C (rough estimate)
- Density
- 1.2934 · 1.2934 (rough estimate)
- refractive index
- 1.56 · 1.5600 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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