2-Heptyn-4-ol, 1-(bis(2-chloroethyl)amino)-4-methyl-, hydrochloride
bis(2-chloroethyl)-(4-hydroxy-4-methylhept-2-ynyl)azanium chloride
Also Known As: AC1L1ZTT|RefChem:261401|4-Methyl-1-(bis(2-chloroethyl)amino)-2-heptyn-4-ol hydrochloride|2-HEPTYN-4-OL, 1-(BIS(2-CHLOROETHYL)AMINO)-4-METHYL-, HYDROCHLORIDE|bis(2-chloroethyl)-(4-hydroxy-4-methylhept-2-ynyl)azanium chloride
| Molecular Formula | C12H22Cl3NO |
|---|---|
| Molecular Weight | 301.0767 g/mol |
| LogP | -2.09 |
| Topological Polar Surface Area | 24.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 301.0767 |
| Heavy Atoms | 17 |
| Complexity | 229.6 |
Chemical Identifiers
| CAS Number | 40415-91-6 |
|---|---|
| SMILES | CCCC(C)(C#CC[NH+](CCCl)CCCl)O.[Cl-] |
Product Overview
2-Heptyn-4-ol, 1-(bis(2-chloroethyl)amino)-4-methyl-, hydrochloride (CAS 40415-91-6), with molecular formula C12H22Cl3NO and molecular weight 301.0767 g/mol. IUPAC: bis(2-chloroethyl)-(4-hydroxy-4-methylhept-2-ynyl)azanium chloride.
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