Benzoic acid, 4-(2-(diethylamino)ethoxy)-3,5-dipropyl-, hydrochloride

HCID 57768

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Basic information

CAS: 100311-36-2
Standard SMILES: CCCc1cc(C(=O)O)cc(CCC)c1OCC[NH+](CC)CC.[Cl-]
InChIKey: ALOYRRXNZFTOSZ-UHFFFAOYSA-N
Molecular formula: C19H32ClNO3
Average molar mass: 357.9 g/mol
Monoisotopic mass: 357.2070716

Names & identifiers

Preferred name: Benzoic acid, 4-(2-(diethylamino)ethoxy)-3,5-dipropyl-, hydrochloride
IUPAC: 2-(4-carboxy-2,6-dipropylphenoxy)ethyl-diethylazanium chloride

Names & synonyms

4-(2-(Diethylamino)ethoxy)-3,5-dipropylbenzoic acid hydrochloride100311-36-2BENZOIC ACID, 4-(2-(DIETHYLAMINO)ETHOXY)-3,5-DIPROPYL-, HYDROCHLORIDERefChem:327407

Database identifiers

CAS: 100311-36-2
PubChem CID: 57768

Properties

Computed structural properties

Topological polar surface area: 51 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 11
Heavy atoms: 24
Formal charge: 0
Complexity: 315

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