3-Isopropylphenyl N,N-dimethylcarbamate
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Basic information
- CAS
3938-45-2- Standard SMILES
CC(C)c1cccc(OC(=O)N(C)C)c1- InChIKey
RDKXIDLUGBHOCT-UHFFFAOYSA-N- Molecular formula
- C12H17NO2
- Average molar mass
- 207.27 g/mol
- Monoisotopic mass
- 207.12592879
Names & identifiers
- Preferred name
- 3-Isopropylphenyl N,N-dimethylcarbamate
- IUPAC
- (3-propan-2-ylphenyl) N,N-dimethylcarbamate
- English name
- N,N-Dimethylcarbamic acid m-isopropylphenyl ester
- Molecular formula
- C12H17NO2
- Molecular weight
- 0
Names & synonyms
3-Isopropylphenyl N,N-dimethylcarbamate3938-45-2OT5HD96CGNDTXSID80192578RefChem:1068071DTXCID20115069BRN 2269800UNII-OT5HD96CGNN,N-Dimethylcarbamic acid, m-isopropyl phenyl esterCARBAMIC ACID, N,N-DIMETHYL-, m-ISOPROPYLPHENYL ESTERCarbamic acid, dimethyl-, m-cumenyl esterN,N-Dimethylcarbamic acid m-isopropylphenyl ester
Show more names
3-Isopropylphenyl-N,N-dimethylcarbamat
Carbamic acid, dimethyl-, 3-(1-methylethyl)phenyl esterCHEMBL2288700SCHEMBL263783413-(Propan-2-yl)phenyl dimethylcarbamate3-ISOPROPYLPHENYL DIMETHYLCARBAMATEPHENOL, M-ISOPROPYL-, DIMETHYLCARBAMATEQ27285827
Database identifiers
- CAS
3938-45-2- PubChem CID
- 19837
- DTXSID
DTXSID80192578- ChEMBL
CHEMBL2288700- UNII
- OT5HD96CGN
- Nikkaji
- J67.587C
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- Boiling point
- 346.3 °C · 346.3°C (rough estimate)
- Density
- 1.0681 · 1.0681 (rough estimate)
- refractive index
- 1.522 · 1.5220 (estimate)
- FDA UNII
- 5 HD96CGN · OT5HD96CGN
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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