Basic information
- CAS
69416-69-9- Standard SMILES
CCCCOC(=O)CCN1CCC1- InChIKey
BGZYXSKAJHLLNR-UHFFFAOYSA-N- Molecular formula
- C10H19NO2
- Average molar mass
- 185.26 g/mol
- Monoisotopic mass
- 185.14157885
Names & identifiers
- Preferred name
- 1-Azetidinepropanoic acid, butyl ester
- IUPAC
- butyl 3-(azetidin-1-yl)propanoate
- English name
- 1-Azetidinepropanoic acid butyl ester
- Molecular formula
- C10H19NO2
- Molecular weight
- 185.27
Names & synonyms
1-Azetidinepropanoic acid, butyl esterRefChem:429558butyl 3-(azetidin-1-yl)propanoate69416-69-9Butyl 3-(azetidin-1-yl)propionateDTXSID9071979BGZYXSKAJHLLNR-UHFFFAOYSA-N1-Azetidinepropanoic acid butyl ester
Database identifiers
- CAS
69416-69-9- PubChem CID
- 112281
- DTXSID
DTXSID9071979- Nikkaji
- J441.304K
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- EPA Substance Registry System
- 3 · Butyl 3-(azetidin-1-yl)propionate (69416-69-9)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Azetidinepropanoic acid, butyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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