2-((2-Chloroethyl)amino)ethyl 1,3-benzodioxole-5-carboxylate
Basic information
- CAS
91494-79-0- Standard SMILES
O=C(OCCNCCCl)c1ccc2c(c1)OCO2- InChIKey
AOMFSLRLSXKOEL-UHFFFAOYSA-N- Molecular formula
- C12H14ClNO4
- Average molar mass
- 271.69 g/mol
- Monoisotopic mass
- 271.0611356
Names & identifiers
- Preferred name
- 2-((2-Chloroethyl)amino)ethyl 1,3-benzodioxole-5-carboxylate
- IUPAC
- 2-(2-chloroethylamino)ethyl 1,3-benzodioxole-5-carboxylate
Names & synonyms
2-((2-Chloroethyl)amino)ethyl 1,3-benzodioxole-5-carboxylate91494-79-0NSC 50865NSC508652-(2-chloroethylamino)ethyl 1,3-benzodioxole-5-carboxylateDTXSID702385952-[(2-CHLOROETHYL)AMINO]ETHYL 2H-1,3-BENZODIOXOLE-5-CARBOXYLATE
Database identifiers
- CAS
91494-79-0- PubChem CID
- 413660
- DTXSID
DTXSID70238595
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 277
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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