2-(Aziridin-1-yl)but-3-en-1-yl butanoate
Basic information
- CAS
5110-75-8- Standard SMILES
C=CC(COC(=O)CCC)N1CC1- InChIKey
DDNAQQIRROCQQT-UHFFFAOYSA-N- Molecular formula
- C10H17NO2
- Average molar mass
- 183.25 g/mol
- Monoisotopic mass
- 183.12592879
Names & identifiers
- Preferred name
- 2-(Aziridin-1-yl)but-3-en-1-yl butanoate
- IUPAC
- 2-(aziridin-1-yl)but-3-enyl butanoate
Names & synonyms
5110-75-8NSC5287202-(Aziridin-1-yl)but-3-en-1-yl butanoateDTXSID20326471NSC-528720
Database identifiers
- CAS
5110-75-8- PubChem CID
- 352896
- DTXSID
DTXSID20326471
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 187
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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