3-(Piperidin-1-yl)propyl 4-(butylamino)benzoate--hydrogen chloride (1/1)
Basic information
- CAS
100311-28-2- Standard SMILES
CCCCNc1ccc(C(=O)OCCC[NH+]2CCCCC2)cc1.[Cl-]- InChIKey
YUAJJCQDIYIWRE-UHFFFAOYSA-N- Molecular formula
- C19H31ClN2O2
- Average molar mass
- 354.9 g/mol
- Monoisotopic mass
- 354.2074059
Names & identifiers
- Preferred name
- 3-(Piperidin-1-yl)propyl 4-(butylamino)benzoate--hydrogen chloride (1/1)
- IUPAC
- 3-piperidin-1-ium-1-ylpropyl 4-(butylamino)benzoate chloride
Names & synonyms
100311-28-2DTXSID909053733-(Piperidin-1-yl)propyl 4-(butylamino)benzoate--hydrogen chloride (1/1)RefChem:1067218DTXCID601334476WIN 4039p-Butylaminobenzoic acid 3-piperidinopropyl ester hydrochlorideBENZOIC ACID, p-BUTYLAMINO-, 3-PIPERIDINOPROPYL ESTER, MONOHYDROCHLORIDE
Database identifiers
- CAS
100311-28-2- PubChem CID
- 57758
Properties
Computed structural properties
- Topological polar surface area
- 42.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 321
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Compound notes
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