Salicylic acid, 4-(3-(isopropylamino)propionamido)-, hexyl ester, hydrochloride
Basic information
- CAS
14028-12-7- Standard SMILES
CCCCCCOC(=O)c1ccc(NC(=O)CCNC(C)C)cc1O.Cl- InChIKey
HEIAUCIJLILQQY-UHFFFAOYSA-N- Molecular formula
- C19H31ClN2O4
- Average molar mass
- 386.9 g/mol
- Monoisotopic mass
- 386.1972352
Names & identifiers
- Preferred name
- Salicylic acid, 4-(3-(isopropylamino)propionamido)-, hexyl ester, hydrochloride
- IUPAC
- hexyl 2-hydroxy-4-[3-(propan-2-ylamino)propanoylamino]benzoate;hydrochloride
Names & synonyms
Salicylic acid, 4-(3-(isopropylamino)propionamido)-, hexyl ester, hydrochlorideHexyl 4-(3-(isopropylamino)propionylamino)salicylate, hydrochloride14028-12-7DTXSID90161295RefChem:379829DTXCID7083786Hexyl 2-hydroxy-4-{[N-(propan-2-yl)-beta-alanyl]amino}benzoate--hydrogen chloride (1/1)
Database identifiers
- CAS
14028-12-7- PubChem CID
- 203183
- DTXSID
DTXSID90161295
Properties
Computed structural properties
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 401
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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