2-(Aziridin-1-yl)but-3-en-1-yl hexadecanoate
Basic information
- CAS
5206-36-0- Standard SMILES
C=CC(COC(=O)CCCCCCCCCCCCCCC)N1CC1- InChIKey
UIKXJDPQDJJTPN-UHFFFAOYSA-N- Molecular formula
- C22H41NO2
- Average molar mass
- 351.6 g/mol
- Monoisotopic mass
- 351.31372955
Names & identifiers
- Preferred name
- 2-(Aziridin-1-yl)but-3-en-1-yl hexadecanoate
- IUPAC
- 2-(aziridin-1-yl)but-3-enyl hexadecanoate
Names & synonyms
5206-36-0NSC 528716NSC5287162-(Aziridin-1-yl)but-3-en-1-yl hexadecanoateDTXSID50326469NSC-528716
Database identifiers
- CAS
5206-36-0- PubChem CID
- 352893
- DTXSID
DTXSID50326469
Properties
Computed structural properties
- XLogP
- 7.9
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 19
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 339
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Related reactions
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Compound notes
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