Ethyl 4-(2-chloroethyl)piperazine-1-carboxylate
Basic information
- CAS
64822-11-3- Standard SMILES
CCOC(=O)N1CCN(CCCl)CC1- InChIKey
QXFLHYYXOQKRBC-UHFFFAOYSA-N- Molecular formula
- C9H17ClN2O2
- Average molar mass
- 220.69 g/mol
- Monoisotopic mass
- 220.0978555
Names & identifiers
- Preferred name
- Ethyl 4-(2-chloroethyl)piperazine-1-carboxylate
- IUPAC
- ethyl 4-(2-chloroethyl)piperazine-1-carboxylate
Names & synonyms
ethyl 4-(2-chloroethyl)piperazine-1-carboxylate64822-11-31-(2-chloroethyl)-4-(ethoxycarbonyl)piperazineHN4KYX3ZG5SCHEMBL9242962SCHEMBL11337882DTXSID40276803QXFLHYYXOQKRBC-UHFFFAOYSA-N1-Piperazinecarboxylic acid, 4-(2-chloroethyl)-, ethyl esterAKOS015939050ethoxycarbonyl-4-(2-chloroethyl)-piperazine4-(beta-Chloroethyl)-1-piperazinecarboxylic acid ethyl ester
Database identifiers
- CAS
64822-11-3- PubChem CID
- 201594
- DTXSID
DTXSID40276803- UNII
- HN4KYX3ZG5
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 182
Related reactions
5 records
Compound notes
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