Basic information
- CAS
99900-95-5- Standard SMILES
O=C(CCN1CC1)OC1CCCCCC1- InChIKey
YDRWEIADTDQASH-UHFFFAOYSA-N- Molecular formula
- C12H21NO2
- Average molar mass
- 211.3 g/mol
- Monoisotopic mass
- 211.15722891
Names & identifiers
- Preferred name
- 1-Aziridinepropionic acid, cycloheptyl ester
- IUPAC
- cycloheptyl 3-(aziridin-1-yl)propanoate
Names & synonyms
99900-95-51-AZIRIDINEPROPIONIC ACID, CYCLOHEPTYL ESTER1-Aziridinepropanoic acid, cycloheptyl esterPropionic acid, 3-(1-aziridinyl)-, cycloheptyl esterDTXSID90244299RefChem:227745DTXCID40166790cycloheptyl 3-(aziridin-1-yl)propanoateNSC160045NSC-160045
Database identifiers
- CAS
99900-95-5- PubChem CID
- 57563
- DTXSID
DTXSID90244299- Nikkaji
- J84.746A
Properties
Computed structural properties
- XLogP
- 2.2
- 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
- 206
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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