Basic information
- CAS
67031-83-8- Standard SMILES
O=C(OCCC[NH+]1CCCC1)c1ccccc1.[Cl-]- InChIKey
GJWOQFCKOBCHFL-UHFFFAOYSA-N- Molecular formula
- C14H20ClNO2
- Average molar mass
- 269.77 g/mol
- Monoisotopic mass
- 269.1182566
Names & identifiers
- Preferred name
- 3-(Pyrrolidin-1-yl)propyl benzoate--hydrogen chloride (1/1)
- IUPAC
- 3-pyrrolidin-1-ium-1-ylpropyl benzoate chloride
Names & synonyms
67031-83-8DTXSID309859373-(Pyrrolidin-1-yl)propyl benzoate--hydrogen chloride (1/1)RefChem:1067235DTXCID301413126gamma-Pyrrolidinopropyl benzoate hydrochlorideBENZOIC ACID, 3-(PYRROLIDINO)PROPYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
67031-83-8- PubChem CID
- 48944
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 230
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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