Benzeneethanol, 4-chloro-alpha-methyl-, 1-carbamate
Basic information
- CAS
713-86-0- Standard SMILES
CC(Cc1ccc(Cl)cc1)OC(N)=O- InChIKey
LYBZFTSSSXEHFJ-UHFFFAOYSA-N- Molecular formula
- C10H12ClNO2
- Average molar mass
- 213.66 g/mol
- Monoisotopic mass
- 213.0556563
Names & identifiers
- Preferred name
- Benzeneethanol, 4-chloro-alpha-methyl-, 1-carbamate
- IUPAC
- 1-(4-chlorophenyl)propan-2-yl carbamate
- English name
- Carbamic acid p-chloro-α-methylphenethyl ester
- Molecular formula
- C10H12ClNO2
- Molecular weight
- 213.66
Names & synonyms
713-86-0DTXSID601244392Benzeneethanol, 4-chloro-alpha-methyl-, 1-carbamateRefChem:1078473DTXCID9016752551-(4-chlorophenyl)propan-2-yl carbamateCARBAMIC ACID, p-CHLORO-alpha-METHYLPHENETHYL ESTERNSC-44681MH 1453NSC 44681BRN 18779929CCM5KBL59
Show more names
Carbamic acid p-chloro-α-methylphenethyl esterBenzeneethanol, 4-chloro-α-methyl-, 1-carbamate
Carbamic acid, p-chloro-.alpha.-methylphenethyl esterSCHEMBL9660791NSC44681Benzeneethanol, 4-chloro-I+/--methyl-, 1-carbamate
Database identifiers
- CAS
713-86-0- PubChem CID
- 12843
- DTXSID
DTXSID601244392- UNII
- 9CCM5KBL59
- Nikkaji
- J48.522E
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- Toxicity
- 50 oral · LD50 oral in mouse: 680mg/kg
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
- Toxicity
- LD50 oral in mouse: 680mg/kg
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Related reactions
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Compound notes
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