Butanedioic acid,2-(1-aziridinyl)-, 1,4-diethyl ester
Basic information
- CAS
1137-24-2- Standard SMILES
CCOC(=O)CC(C(=O)OCC)N1CC1- InChIKey
XOTACAHLRMABNA-UHFFFAOYSA-N- Molecular formula
- C10H17NO4
- Average molar mass
- 215.25 g/mol
- Monoisotopic mass
- 215.11575802
Names & identifiers
- Preferred name
- Butanedioic acid,2-(1-aziridinyl)-, 1,4-diethyl ester
- IUPAC
- diethyl 2-(aziridin-1-yl)butanedioate
Names & synonyms
1137-24-2Butanedioic acid,2-(1-aziridinyl)-, 1,4-diethyl esterNSC24023SCHEMBL9729233NSC-240231-[1,2-bis(carbethoxy)ethyl]aziridineDS-007326
Database identifiers
- CAS
1137-24-2- PubChem CID
- 229933
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 238
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Compound notes
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