3,4-Dimethylphenyl methylnitrosocarbamate
Basic information
- CAS
58139-33-6- Standard SMILES
Cc1ccc(OC(=O)N(C)N=O)cc1C- InChIKey
HHNVRZPRZQZGFZ-UHFFFAOYSA-N- Molecular formula
- C10H12N2O3
- Average molar mass
- 208.21 g/mol
- Monoisotopic mass
- 208.08479225
Names & identifiers
- Preferred name
- 3,4-Dimethylphenyl methylnitrosocarbamate
- IUPAC
- (3,4-dimethylphenyl) N-methyl-N-nitrosocarbamate
- English name
- Methylnitrosocarbamic acid 3,4-xylyl ester
- Molecular formula
- C10H12N2O3
- Molecular weight
- 208.21
Names & synonyms
58139-33-63,4-Dimethylphenyl methylnitrosocarbamate3,4-Dimethylphenyl N-methyl-N-nitrosocarbamateNitroso-mpmcN-Nitroso-3,4-xylyl-N-methylcarbamateCARBAMIC ACID, N-METHYL-N-NITROSO-, 3,4-DIMETHYLPHENYL ESTERCarbamic acid, methylnitroso-, 3,4-dimethylphenyl esterMeobal, nitrosatedMeobal, nitrosated [Japanese]CCRIS 12223,4-Xylyl N-methylcarbamate, nitrosatedCarbamic acid, methylnitroso-, 3,4-xylyl ester
Show more names
N-Methyl-N-nitrosocarbamic acid 3,4-dimethylphenylMethylnitrosocarbamic acid 3,4-dimethylphenyl esterN-Methyl-N-nitrosocarbamic acid 3,4-dimethylphenyl ester
Methylnitrosocarbamic acid 3,4-xylyl esterXJX3L5GW7PDTXSID402068673,4-Dimethylphenyl methyl(nitroso)carbamateDB-3201193,4-Dimethylphenyl-N-nitroso-N-methylcarbamateDIMETHYLPHENYL METHYLNITROSOCARBAMATE, 3,4-
Database identifiers
- CAS
58139-33-6- PubChem CID
- 42644
- DTXSID
DTXSID40206867- UNII
- XJX3L5GW7P
- Nikkaji
- J1.085E
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 245
Physicochemical properties
- Boiling point
- 347.41 °C · 347.41°C (rough estimate)
- Density
- 1.242 · 1.2420 (rough estimate)
- refractive index
- 1.483 · 1.4830 (estimate)
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Compound notes
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