3-(Diethylamino)-2-hydroxypropyl 4-(propylamino)benzoate--hydrogen chloride (1/1)

HCID 57889

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Basic information

CAS: 100482-36-8
Standard SMILES: CCCNc1ccc(C(=O)OCC(O)C[NH+](CC)CC)cc1.[Cl-]
InChIKey: KUSQCEZDTDUKML-UHFFFAOYSA-N
Molecular formula: C17H29ClN2O3
Average molar mass: 344.9 g/mol
Monoisotopic mass: 344.1866705

Names & identifiers

Preferred name: 3-(Diethylamino)-2-hydroxypropyl 4-(propylamino)benzoate--hydrogen chloride (1/1)
IUPAC: diethyl-[2-hydroxy-3-[4-(propylamino)benzoyl]oxypropyl]azanium chloride

Names & synonyms

100482-36-8DTXSID009055263-(Diethylamino)-2-hydroxypropyl 4-(propylamino)benzoate--hydrogen chloride (1/1)RefChem:1067053DTXCID001334630Benzoic acid, p-(propylamino)-, 3-(diethylamino)-2-hydroxypropyl ester, hydrochloride3-(Diethylamino)-2-hydroxypropyl p-(propylamino)benzoate hydrochloride

Database identifiers

CAS: 100482-36-8
PubChem CID: 57889

Properties

Computed structural properties

Topological polar surface area: 63 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 11
Heavy atoms: 23
Formal charge: 0
Complexity: 300

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