Basic information
- CAS
99901-00-5- Standard SMILES
CC1CCCCC1OC(=O)CCN1CC1- InChIKey
WHGMNYHFQIBTEA-UHFFFAOYSA-N- Molecular formula
- C12H21NO2
- Average molar mass
- 211.3 g/mol
- Monoisotopic mass
- 211.15722891
Names & identifiers
- Preferred name
- 1-Aziridinepropionic acid, 2-methylcyclohexyl ester
- IUPAC
- (2-methylcyclohexyl) 3-(aziridin-1-yl)propanoate
Names & synonyms
99901-00-51-AZIRIDINEPROPIONIC ACID, 2-METHYLCYCLOHEXYL ESTERRefChem:10548961-Aziridinepropanoic acid, 2-methylcyclohexyl ester2-Methylcyclohexyl 3-(aziridin-1-yl)propanoateDTXSID70912409NSC160070NSC-160070
Database identifiers
- CAS
99901-00-5- PubChem CID
- 57568
- DTXSID
DTXSID70912409- Nikkaji
- J84.759C
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 226
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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