Phenethyl carbamate
Basic information
- CAS
17576-39-5- Standard SMILES
NC(=O)OCCc1ccccc1- InChIKey
MUAUTBNKPSNTFM-UHFFFAOYSA-N- Molecular formula
- C9H11NO2
- Average molar mass
- 165.19 g/mol
- Monoisotopic mass
- 165.07897859
Names & identifiers
- Preferred name
- Phenethyl carbamate
- IUPAC
- 2-phenylethyl carbamate
- English name
- Ethylcarbamic acid phenyl ester
- Molecular formula
- C9H11NO2
- Molecular weight
- 165.19
Names & synonyms
phenethyl carbamate6326-19-8Carbamic acid, phenethyl esterNSC-31196Carbamic acid, 2-phenylethyl ester0GM9A2CI6NDTXSID50879506RefChem:1094685DTXCID5010175162-phenylethyl carbamateUNII-0GM9A2CI6NNSC31196
Show more names
Ai3-27289Ethylcarbamic acid phenyl esterCarbamic acid, N-ethyl-, phenyl ester
benzylmonomethyl carbamateSCHEMBL111316SCHEMBL2003806SCHEMBL3541538CHEMBL2087000MUAUTBNKPSNTFM-UHFFFAOYSA-NCarbamic acid, ethyl-, phenyl esterAKOS005216546
Database identifiers
- CAS
17576-39-5、6326-19-8- PubChem CID
- 233105
- DTXSID
DTXSID50879506- ChEMBL
CHEMBL2087000- UNII
- 0GM9A2CI6N
- Nikkaji
- J1.510.534H
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 141
Experimental & physicochemical properties
LogP1.5
Physicochemical properties
- Melting point
- 48 · 48-49 °C
- Boiling point
- 234.3 · 234.3±13.0 °C(Predicted)
- Density
- 1.084 · 1.084±0.06 g/cm3(Predicted)
- pka
- 11.55 · 11.55±0.46(Predicted)
- HS Code
- 2924299090 · 2924299090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2924299090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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