AC1Q3BIW structure

AC1Q3BIW

1-[3-[bis(2-chloroethyl)amino]prop-1-ynyl]-2-methylcyclohexan-1-ol;hydrochloride

Also Known As: 1-(3-(Bis(2-chloroethyl)amino)-1-propynyl)-2-methylcyclohexanol hydrochloride|Cyclohexanol, 1-(3-(bis(2-chloroethyl)amino)-1-propynyl)-2-methyl-, hydrochloride|1-{3-[bis(2-chloroethyl)amino]prop-1-yn-1-yl}-2-methylcyclohexanol hydrochloride(1:1)|1-[bis(2-chloroethyl)amino]-4-methyldec-2-yn-4-ol hydrochloride(1:1)|1-[3-[bis(2-chloroethyl)amino]prop-1-ynyl]-2-methylcyclohexan-1-ol hydrochloride|1-[3-[bis(2-chloroethyl)amino]prop-1-ynyl]-2-methylcyclohexan-1-ol,hydrochloride|1-{3-[Bis(2-chloroethyl)amino]prop-1-yn-1-yl}-2-methylcyclohexan-1-ol--hydrogen chloride (1/1)

CAS: 5336-68-5
Molecular Formula C14H24Cl3NO
Molecular Weight 327.09235 g/mol
LogP 3.1324
Topological Polar Surface Area 23.5 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
Rotatable Bonds 6
Exact Mass 327.09235
Monoisotopic Mass 327.09235
Heavy Atoms 19
Complexity 303.0

Chemical Identifiers

CAS Number 5336-68-5
SMILES CC1CCCCC1(C#CCN(CCCl)CCCl)O.Cl
InChIKey QFYAPYJZISAXPP-UHFFFAOYSA-N

Product Overview

AC1Q3BIW (CAS 5336-68-5), with molecular formula C14H24Cl3NO and molecular weight 327.09235 g/mol. IUPAC: 1-[3-[bis(2-chloroethyl)amino]prop-1-ynyl]-2-methylcyclohexan-1-ol;hydrochloride.

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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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