6-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]hexanoic acid structure

6-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]hexanoic acid

6-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]hexanoic acid

Also Known As: BAS 00363340|6-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]hexanoic acid|(E)-6-(2-acetamido-3-(benzo[d][1,3]dioxol-5-yl)acrylamido)hexanoic acid|6-(2-Acetylamino-3-benzo[1,3]dioxol-5-yl-acryloylamino)-hexanoic acid|6-{[(2E)-2-(acetylamino)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino}hexanoic acid

CAS: 331256-72-5
Molecular Formula C18H22N2O6
Molecular Weight 362.1478 g/mol
LogP 1.6535
Topological Polar Surface Area 113.96 Ų
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
Rotatable Bonds 9
Exact Mass 362.1478
Monoisotopic Mass 362.1478
Heavy Atoms 26
Complexity 713.63293

Chemical Identifiers

CAS Number 331256-72-5
SMILES CC(=O)N/C(=C/C1=CC2=C(C=C1)OCO2)/C(=O)NCCCCCC(=O)O

Product Overview

6-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]hexanoic acid (CAS 331256-72-5), with molecular formula C18H22N2O6 and molecular weight 362.1478 g/mol. IUPAC: 6-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]hexanoic acid.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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6-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]hexanoic acid is a custom synthesis product. We offer services from milligram to kilogram scale.

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