2-(Dimethylamino)ethyl 4-amino-2-propoxybenzoate--hydrogen chloride (1/2)

HCID 57738

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Basic information

CAS: 100311-14-6
Standard SMILES: CCCOc1cc([NH3+])ccc1C(=O)OCC[NH+](C)C.[Cl-].[Cl-]
InChIKey: XWCNFHYIGJTALC-UHFFFAOYSA-N
Molecular formula: C14H24Cl2N2O3
Average molar mass: 339.3 g/mol
Monoisotopic mass: 338.116398

Names & identifiers

Preferred name: 2-(Dimethylamino)ethyl 4-amino-2-propoxybenzoate--hydrogen chloride (1/2)
IUPAC: 2-(4-azaniumyl-2-propoxybenzoyl)oxyethyl-dimethylazanium dichloride

Names & synonyms

100311-14-6DTXSID209053662-(Dimethylamino)ethyl 4-amino-2-propoxybenzoate--hydrogen chloride (1/2)RefChem:1061793DTXCID101334469WIN 40904-Amino-2-propoxy-benzoic acid 2-(dimethylamino)ethyl ester dihydrochlorideBENZOIC ACID, 4-AMINO-2-PROPOXY-, 2-(DIMETHYLAMINO)ETHYL ESTER, DIHYDROCHLORIDE

Database identifiers

CAS: 100311-14-6
PubChem CID: 57738

Properties

Computed structural properties

Topological polar surface area: 67.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 21
Formal charge: 0
Complexity: 271

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