Benzoic acid, p-amino-, 3-(beta-(dimethylamino)ethoxy)propyl ester

HCID 45320

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Basic information

CAS: 63917-77-1
Standard SMILES: CN(C)CCOCCCOC(=O)c1ccc(N)cc1
InChIKey: OAIXNMHLYQAFPH-UHFFFAOYSA-N
Molecular formula: C14H22N2O3
Average molar mass: 266.34 g/mol
Monoisotopic mass: 266.16304257

Names & identifiers

Preferred name: Benzoic acid, p-amino-, 3-(beta-(dimethylamino)ethoxy)propyl ester
IUPAC: 3-[2-(dimethylamino)ethoxy]propyl 4-aminobenzoate
English name: 3-[β-(Dimethylamino)ethoxy]propyl=p-aminobenzoate
Molecular formula: C14H22N2O3
Molecular weight: 266.34

Names & synonyms

63917-77-13-(beta-(Dimethylamino)ethoxy)propyl p-aminobenzoateBENZOIC ACID, p-AMINO-, 3-(beta-(DIMETHYLAMINO)ETHOXY)PROPYL ESTERDTXSID90213682RefChem:327914DTXCID201361733-[2-(dimethylamino)ethoxy]propyl 4-aminobenzoateSCHEMBL311222733-[β-(Dimethylamino)ethoxy]propyl=p-aminobenzoate1-Propanol, 3-[2-(dimethylamino)ethoxy]-, 1-(4-aminobenzoate)

Database identifiers

CAS: 63917-77-1
PubChem CID: 45320
DTXSID: DTXSID90213682
Nikkaji: J73.832H

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 64.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 9
Heavy atoms: 19
Formal charge: 0
Complexity: 251

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