Basic information
- CAS
10526-03-1- Standard SMILES
CCCCCCOC(=O)CCN1CC1- InChIKey
NOVRXKFQWDPVJF-UHFFFAOYSA-N- Molecular formula
- C11H21NO2
- Average molar mass
- 199.29 g/mol
- Monoisotopic mass
- 199.15722891
Names & identifiers
- Preferred name
- 1-Aziridinepropionic acid, hexyl ester
- IUPAC
- hexyl 3-(aziridin-1-yl)propanoate
Names & synonyms
1-AZIRIDINEPROPIONIC ACID, HEXYL ESTER1-Aziridinepropanoic acid, hexyl ester10526-03-1DTXSID50147035RefChem:227749DTXCID7069526hexyl 3-(aziridin-1-yl)propanoate
Database identifiers
- CAS
10526-03-1- PubChem CID
- 25335
- DTXSID
DTXSID50147035- Nikkaji
- J84.755K
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 167
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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