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CAS No.: | 17783-50-5 |
---|---|
Name: | 8-METHYL-3,8-DIAZA-BICYCLO[3.2.1]OCTANE DIHYDROCHLORIDE |
Molecular Structure: | |
Formula: | C7H14N2.2(HCl) |
Molecular Weight: | 199.12 |
Synonyms: | 3,8-Diazabicyclo[3.2.1]octane,8-methyl-, dihydrochloride (6CI,7CI,8CI,9CI);8-Methyl-3,8-diazabicyclo[3.2.1]octane dihydrochloride;NSC 149518; |
Density: | 0.97 g/cm3 |
Melting Point: | 314-315 °C |
Boiling Point: | 265.6 °C at 760 mmHg |
Flash Point: | 114.4 °C |
PSA: | 15.27000 |
LogP: | 1.92310 |
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The 8-Methyl-3,8-diazabicyclo[3.2.1]octane dihydrochloride, with the CAS registry number 17783-50-5, is also known as 3,8-Diazabicyclo[3.2.1]octane, 8-methyl-, hydrochloride (1:2). This chemical's molecular formula is C7H14N2.2(HCl) and molecular weight is 199.12. Its systematic name is called 8-methyl-3,8-diazabicyclo[3.2.1]octane dihydrochloride.
Physical properties of 8-Methyl-3,8-diazabicyclo[3.2.1]octane dihydrochloride: (1)ACD/LogP: 0.24; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)Polar Surface Area: 15.27 Å2; (10)Flash Point: 114.4 °C; (11)Melting Point: 314-315 °C; (12)Enthalpy of Vaporization: 51.37 kJ/mol; (13)Boiling Point: 265.6 °C at 760 mmHg; (14)Vapour Pressure: 0.00709 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Cl.CN2C1CCC2CNC1
(2)InChI: InChI=1/C7H14N2.2ClH/c1-9-6-2-3-7(9)5-8-4-6;;/h6-8H,2-5H2,1H3;2*1H
(3)InChIKey: XNZIHVKLRKGFBS-UHFFFAOYAY