Benzoic acid, 4-amino-2-propoxy-, 3-(diethylamino)propyl ester, dihydrochloride

HCID 57736

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Basic information

CAS: 100311-13-5
Standard SMILES: CCCOc1cc([NH3+])ccc1C(=O)OCCC[NH+](CC)CC.[Cl-].[Cl-]
InChIKey: IBCGTOOAMLYCQU-UHFFFAOYSA-N
Molecular formula: C17H30Cl2N2O3
Average molar mass: 381.3 g/mol
Monoisotopic mass: 380.1633482

Names & identifiers

Preferred name: Benzoic acid, 4-amino-2-propoxy-, 3-(diethylamino)propyl ester, dihydrochloride
IUPAC: 3-(4-azaniumyl-2-propoxybenzoyl)oxypropyl-diethylazanium dichloride

Names & synonyms

100311-13-5BENZOIC ACID, 4-AMINO-2-PROPOXY-, 3-(DIETHYLAMINO)PROPYL ESTER, DIHYDROCHLORIDERefChem:10791544-Amino-2-propoxybenzoic acid 3-(diethylamino)propyl ester dihydrochlorideWIN 36993-(4-azaniumyl-2-propoxybenzoyl)oxypropyl-diethylazanium;dichloride

Database identifiers

CAS: 100311-13-5
PubChem CID: 57736

Properties

Computed structural properties

Topological polar surface area: 67.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 11
Heavy atoms: 24
Formal charge: 0
Complexity: 308

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