2-(aziridin-1-yl)but-3-enyl N-phenylcarbamate
Basic information
- CAS
5486-62-4- Standard SMILES
C=CC(COC(=O)Nc1ccccc1)N1CC1- InChIKey
XKFYQJJUJUXVNK-UHFFFAOYSA-N- Molecular formula
- C13H16N2O2
- Average molar mass
- 232.28 g/mol
- Monoisotopic mass
- 232.12117776
Names & identifiers
- Preferred name
- 2-(aziridin-1-yl)but-3-enyl N-phenylcarbamate
- IUPAC
- 2-(aziridin-1-yl)but-3-enyl N-phenylcarbamate
Names & synonyms
5486-62-42-(aziridin-1-yl)but-3-enyl N-phenylcarbamateNSC528719DTXSID60326470NSC-5287192-(Aziridin-1-yl)but-3-en-1-yl phenylcarbamate
Database identifiers
- CAS
5486-62-4- PubChem CID
- 352895
- DTXSID
DTXSID60326470
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 41.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 271
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Compound notes
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