Basic information
- CAS
7305-06-8- Standard SMILES
Cc1ccccc1OC(=O)N(C)C- InChIKey
QKAVMOJYJHTFPY-UHFFFAOYSA-N- Molecular formula
- C10H13NO2
- Average molar mass
- 179.22 g/mol
- Monoisotopic mass
- 179.09462866
Names & identifiers
- Preferred name
- 2-Methylphenyl N,N-dimethylcarbamate
- IUPAC
- (2-methylphenyl) N,N-dimethylcarbamate
- English name
- N,N-Dimethylcarbamic acid o-tolyl ester
- Molecular formula
- C10H13NO2
- Molecular weight
- 179.22
Names & synonyms
7305-06-8CARBAMIC ACID, DIMETHYL-, o-TOLYL ESTERDTXSID702233252-Methylphenyl N,N-dimethylcarbamateRefChem:1063850DTXCID70145816Dimethylcarbamic acid o-tolyl estero-Tolyl dimethylcarbamateBRN 2557739AI3-33164Carbamic acid, dimethyl-, 2-methylphenyl esterSCHEMBL8927620
Show more names
N,N-Dimethylcarbamic acid o-tolyl esterCarbamic acid, N,N-dimethyl-, 2-methylphenyl ester
SCHEMBL89276212-Methylphenyl dimethylcarbamateCHEMBL22886974-06-00-01963 (Beilstein Handbook Reference)
Database identifiers
- CAS
7305-06-8- PubChem CID
- 23730
- DTXSID
DTXSID70223325- ChEMBL
CHEMBL2288697- Nikkaji
- J42.894I
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 180
Experimental & physicochemical properties
LogP1.86
Physicochemical properties
- Boiling point
- 115 · 115-117 °C(Press: 0.3 Torr)
- Density
- 1.072 · 1.072±0.06 g/cm3(Predicted)
- pka
- -1.47 · -1.47±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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