Carbamic acid, butyl-, 2-chloroethyl ester
Basic information
- CAS
60452-11-1- Standard SMILES
CCCCNC(=O)OCCCl- InChIKey
SOQHALWRTQBICZ-UHFFFAOYSA-N- Molecular formula
- C7H14ClNO2
- Average molar mass
- 179.64 g/mol
- Monoisotopic mass
- 179.0713064
Names & identifiers
- Preferred name
- Carbamic acid, butyl-, 2-chloroethyl ester
- IUPAC
- 2-chloroethyl N-butylcarbamate
Names & synonyms
CARBAMIC ACID, BUTYL-, 2-CHLOROETHYL ESTER60452-11-1Butylcarbamic acid 2-chloroethyl esterBRN 1762375DTXSID402091964-04-00-00577 (Beilstein Handbook Reference)RefChem:332325DTXCID601316872-chloroethyl N-butylcarbamateButylcarbamic acid, 2-chloroethyl ester2-chloroethyl butylcarbamateSCHEMBL10827960
Database identifiers
- CAS
60452-11-1- PubChem CID
- 43274
- DTXSID
DTXSID40209196
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 109
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Compound notes
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