Carbamic acid, N-(beta-methoxy-m-trifluoromethylphenethyl)-, ethyl ester
Basic information
- CAS
62064-73-7- Standard SMILES
CCOC(=O)NCC(OC)c1cccc(C(F)(F)F)c1- InChIKey
HGVPRYBOGXQZDU-UHFFFAOYSA-N- Molecular formula
- C13H16F3NO3
- Average molar mass
- 291.27 g/mol
- Monoisotopic mass
- 291.10822786
Names & identifiers
- Preferred name
- Carbamic acid, N-(beta-methoxy-m-trifluoromethylphenethyl)-, ethyl ester
- IUPAC
- ethyl N-[2-methoxy-2-[3-(trifluoromethyl)phenyl]ethyl]carbamate
- English name
- N-(β-Methoxy-m-trifluoromethylphenethyl)carbamic acid ethyl ester
- Molecular formula
- C13H16F3NO3
- Molecular weight
- 291.27
Names & synonyms
62064-73-7N-(beta-Methoxy-m-trifluoromethylphenethyl)carbamic acid ethyl esterCARBAMIC ACID, N-(beta-METHOXY-m-TRIFLUOROMETHYLPHENETHYL)-, ETHYL ESTERRefChem:332673DTXSID60977643DB-371195Ethyl hydrogen {2-methoxy-2-[3-(trifluoromethyl)phenyl]ethyl}carbonimidateN-(β-Methoxy-m-trifluoromethylphenethyl)carbamic acid ethyl esterCarbamic acid, [2-methoxy-2-[3-(trifluoromethyl)phenyl]ethyl]-, ethyl ester (9CI)
Database identifiers
- CAS
62064-73-7- PubChem CID
- 43905
- DTXSID
DTXSID60977643- Nikkaji
- J67.623C
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 310
Physicochemical properties
- Boiling point
- 337.3 · 337.3±42.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 12.01 · 12.01±0.46(Predicted)
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Compound notes
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