Basic information
- CAS
1690-33-1- Standard SMILES
CCC(OC(N)=O)c1ccccc1Cl- InChIKey
VCZXDPUECVELRF-UHFFFAOYSA-N- Molecular formula
- C10H12ClNO2
- Average molar mass
- 213.66 g/mol
- Monoisotopic mass
- 213.0556563
Names & identifiers
- Preferred name
- 1-(2-Chlorophenyl)propyl hydrogen carbonimidate
- IUPAC
- 1-(2-chlorophenyl)propyl carbamate
- English name
- Carbamic acid o-chloro-α-ethylbenzyl ester
- Molecular formula
- C10H12ClNO2
- Molecular weight
- 213.66
Names & synonyms
1690-33-1DTXSID509375741-(2-Chlorophenyl)propyl hydrogen carbonimidateRefChem:1053951DTXCID901366131Carbamic acid o-chloro-alpha-ethylbenzyl ester1-(2-chlorophenyl)propyl carbamateMH 586o-Chloro-alpha-ethylbenzyl carbamateBRN 1877589CARBAMIC ACID, o-CHLORO-alpha-ETHYLBENZYL ESTERCarbamic acid o-chloro-α-ethylbenzyl ester
Show more names
Benzenemethanol, 2-chloro-α-ethyl-, 1-carbamate
Database identifiers
- CAS
1690-33-1- PubChem CID
- 15534
- DTXSID
DTXSID50937574- Nikkaji
- J42.930I
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
- 199
Physicochemical properties
- Toxicity
- 50 oral · LD50 oral in rat: 710mg/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 rat: 710mg/kg
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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