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)
| 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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