Basic information
- CAS
24116-23-2- Standard SMILES
N#CCCOC(=O)CCN1CC1- InChIKey
XRVIDDJVOXXVRE-UHFFFAOYSA-N- Molecular formula
- C8H12N2O2
- Average molar mass
- 168.19 g/mol
- Monoisotopic mass
- 168.08987763
Names & identifiers
- Preferred name
- 2-Cyanoethyl 3-(aziridin-1-yl)propanoate
- IUPAC
- 2-cyanoethyl 3-(aziridin-1-yl)propanoate
Names & synonyms
24116-23-22-cyanoethyl 3-(aziridin-1-yl)propanoateNSC101303SCHEMBL5670523DTXSID40295337NSC-101303
Database identifiers
- CAS
24116-23-2- PubChem CID
- 265383
- DTXSID
DTXSID40295337
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 202
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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