Ethyl(2-chloroethyl)(2-methylpropanoyl)carbamate
Basic information
- CAS
17102-03-3- Standard SMILES
CCOC(=O)N(CCCl)C(=O)C(C)C- InChIKey
QSXHEGNDCCVKAF-UHFFFAOYSA-N- Molecular formula
- C9H16ClNO3
- Average molar mass
- 221.68 g/mol
- Monoisotopic mass
- 221.0818711
Names & identifiers
- Preferred name
- Ethyl(2-chloroethyl)(2-methylpropanoyl)carbamate
- IUPAC
- ethyl N-(2-chloroethyl)-N-(2-methylpropanoyl)carbamate
- English name
- Ethyl N-(2-chloroethyl)-N-isobutyrylcarbamate
- Molecular formula
- C9H16ClNO3
- Molecular weight
- 221.68124
Names & synonyms
17102-03-3Carbamic acid,(2-chloroethyl)isobutyryl-, ethyl ester (8CI)ethyl(2-chloroethyl)(2-methylpropanoyl)carbamateNSC119881SCHEMBL8419200DTXSID80297976AKOS024333270NSC-119881ethyl 2-chloroethyl(isobutyryl)carbamateethyl (2-chloroethyl)(2-methylpropanoyl)carbamateEthyl N-(2-chloroethyl)-N-isobutyrylcarbamateCarbamic acid, (2-chloroethyl)isobutyryl-, ethyl ester (8CI)
Database identifiers
- CAS
17102-03-3- PubChem CID
- 274100
- DTXSID
DTXSID80297976
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 206
Physicochemical properties
- Boiling point
- 330.8 · 330.8±21.0 °C(Predicted)
- Density
- 1.126 · 1.126±0.06 g/cm3(Predicted)
- pka
- -2.6 · -2.60±0.70(Predicted)
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Compound notes
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