1-Aziridinepropionic acid, cyclohexyl ester
Basic information
- CAS
24116-19-6- Standard SMILES
O=C(CCN1CC1)OC1CCCCC1- InChIKey
JBDLTFGKWNPFCZ-UHFFFAOYSA-N- Molecular formula
- C11H19NO2
- Average molar mass
- 197.27 g/mol
- Monoisotopic mass
- 197.14157885
Names & identifiers
- Preferred name
- 1-Aziridinepropionic acid, cyclohexyl ester
- IUPAC
- cyclohexyl 3-(aziridin-1-yl)propanoate
Names & synonyms
1-AZIRIDINEPROPIONIC ACID, CYCLOHEXYL ESTER1-Aziridinepropanoic acid, cyclohexyl esterNSC 10129324116-19-6DTXSID40178838RefChem:227746DTXCID00101329cyclohexyl 3-(aziridin-1-yl)propanoateNCIOpen2_001909NSC101293NSC-101293
Database identifiers
- CAS
24116-19-6- PubChem CID
- 32214
- DTXSID
DTXSID40178838- Nikkaji
- J84.747J
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 195
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Compound notes
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