Basic information
- CAS
99901-06-1- Standard SMILES
CC1CC(OC(=O)CCN2CC2)CC(C)(C)C1- InChIKey
FIZYQWPPYSBTPE-UHFFFAOYSA-N- Molecular formula
- C14H25NO2
- Average molar mass
- 239.35 g/mol
- Monoisotopic mass
- 239.18852904
Names & identifiers
- Preferred name
- 1-Aziridinepropionic acid, 3,3,5-trimethylcyclohexyl ester
- IUPAC
- (3,3,5-trimethylcyclohexyl) 3-(aziridin-1-yl)propanoate
Names & synonyms
99901-06-11-AZIRIDINEPROPIONIC ACID, 3,3,5-TRIMETHYLCYCLOHEXYL ESTERRefChem:10548981-Aziridinepropanoic acid, 3,3,5-trimethylcyclohexyl esterNSC1600511-Aziridinepropionic acid, 3,5,5-trimethylcyclohexyl esterPropionic acid, 3-(1-aziridinyl)-, 3,3,5-trimethylcyclohexyl ester3,3,5-trimethylcyclohexyl 3-(aziridin-1-yl)propanoateDTXSID50912407NSC-160051
Database identifiers
- CAS
99901-06-1- PubChem CID
- 57574
- DTXSID
DTXSID50912407- Nikkaji
- J84.768B
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 284
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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