2-Hydroxy-3-(pyrrolidin-1-yl)propyl 4-(butylamino)benzoate--hydrogen chloride (1/1)
Basic information
- CAS
100311-26-0- Standard SMILES
CCCCNc1ccc(C(=O)OCC(O)C[NH+]2CCCC2)cc1.[Cl-]- InChIKey
GDZLJTJTFRBSCY-UHFFFAOYSA-N- Molecular formula
- C18H29ClN2O3
- Average molar mass
- 356.9 g/mol
- Monoisotopic mass
- 356.1866705
Names & identifiers
- Preferred name
- 2-Hydroxy-3-(pyrrolidin-1-yl)propyl 4-(butylamino)benzoate--hydrogen chloride (1/1)
- IUPAC
- (2-hydroxy-3-pyrrolidin-1-ium-1-ylpropyl) 4-(butylamino)benzoate chloride
Names & synonyms
100311-26-0DTXSID309053722-Hydroxy-3-(pyrrolidin-1-yl)propyl 4-(butylamino)benzoate--hydrogen chloride (1/1)RefChem:1063360DTXCID901334475Benzoic acid, p-(butylamino)-, 2-hydroxy-3-(1-pyrrolidinyl)propyl ester, hydrochloride2-Hydroxy-3-(1-pyrrolidinyl)propyl p-(butylamino)benzoate hydrochloride
Database identifiers
- CAS
100311-26-0- PubChem CID
- 57756
Properties
Computed structural properties
- Topological polar surface area
- 63 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 337
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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