3,7-Dimethyl-1,6-octadien-3-ol; (±)-form, 2-Aminobenzoyl

AlkaPlorer ID: AK036085

Synonym: Linalyl anthranilate, FEMA 2637

IUPAC Name: 3,7-dimethylocta-1,6-dien-3-yl 2-aminobenzoate

Structure

SMILES: C=CC(C)(CCC=C(C)C)OC(=O)C1=CC=CC=C1N

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InChI: InChI=1S/C17H23NO2/c1-5-17(4,12-8-9-13(2)3)20-16(19)14-10-6-7-11-15(14)18/h5-7,9-11H,1,8,12,18H2,2-4H3

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InChIKey: WHIJSULEEDNKPD-UHFFFAOYSA-N

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Reference

PubChem CID: 23535

CAS: 7149-26-0

NPASS: NPC122235

COCONUT: CNP0296170

Properties Information

Molecule Weight: 273.37600000000003

TPSA: 52.32

MolLogP: 4.1167000000000025

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information