2-Octyn-4-ol, 1-(bis(2-chloroethyl)amino)-4-methyl-, hydrochloride
bis(2-chloroethyl)-(4-hydroxy-4-methyloct-1-ynyl)azanium chloride
Also Known As: AC1L1ZTZ|RefChem:264526|4-Methyl-1-bis-(2-chloroethyl)amino-2-octyn-4-ol hydrochloride|2-OCTYN-4-OL, 1-(BIS(2-CHLOROETHYL)AMINO)-4-METHYL-, HYDROCHLORIDE|bis(2-chloroethyl)-(4-hydroxy-4-methyloct-1-ynyl)azanium chloride
| Molecular Formula | C13H24Cl3NO |
|---|---|
| Molecular Weight | 315.09235 g/mol |
| LogP | -1.35 |
| Topological Polar Surface Area | 24.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 8 |
| Exact Mass | 315.09235 |
| Heavy Atoms | 18 |
| Complexity | 242.4 |
Chemical Identifiers
| CAS Number | 40415-92-7 |
|---|---|
| SMILES | CCCCC(C)(CC#C[NH+](CCCl)CCCl)O.[Cl-] |
Product Overview
2-Octyn-4-ol, 1-(bis(2-chloroethyl)amino)-4-methyl-, hydrochloride (CAS 40415-92-7), with molecular formula C13H24Cl3NO and molecular weight 315.09235 g/mol. IUPAC: bis(2-chloroethyl)-(4-hydroxy-4-methyloct-1-ynyl)azanium chloride.
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