Salicylic acid, 4-(3-(isopropylamino)propionamido)-, butyl ester, monohydrochloride
Basic information
- CAS
14025-56-0- Standard SMILES
CCCCOC(=O)c1ccc(NC(=O)CCNC(C)C)cc1O.Cl- InChIKey
UQCWQQDIOAPIHE-UHFFFAOYSA-N- Molecular formula
- C17H27ClN2O4
- Average molar mass
- 358.9 g/mol
- Monoisotopic mass
- 358.165935
Names & identifiers
- Preferred name
- Salicylic acid, 4-(3-(isopropylamino)propionamido)-, butyl ester, monohydrochloride
- IUPAC
- butyl 2-hydroxy-4-[3-(propan-2-ylamino)propanoylamino]benzoate;hydrochloride
Names & synonyms
Salicylic acid, 4-(3-(isopropylamino)propionamido)-, butyl ester, monohydrochloride4-(3-(Isopropylamino)propionamido)salicylic acid butyl ester hydrochloride14025-56-0DTXSID00161281RefChem:379827DTXCID3083772Butyl 2-hydroxy-4-{[N-(propan-2-yl)-beta-alanyl]amino}benzoate--hydrogen chloride (1/1)
Database identifiers
- CAS
14025-56-0- PubChem CID
- 203161
- DTXSID
DTXSID00161281
Properties
Computed structural properties
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 374
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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