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CAS No.: | 150208-70-1 |
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Name: | 1,4-DIAZABICYCLO[3.3.2]NONANE 2HCL |
Molecular Structure: | |
Formula: | C7H16Cl2N2 |
Molecular Weight: | 199.12 |
Synonyms: | 1,4-Diazabicyclo[3.2.2]nonane,dihydrochloride (9CI);1, 4-Diazabicyclo[3.3.2]nonane 2HCl; |
Boiling Point: | 272.3 °C at 760 mmHg |
Flash Point: | 118.5 °C |
PSA: | 15.27000 |
LogP: | 1.92470 |
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The 1, 4-Diazabicyclo[3.2.2]nonane, hydrochloride (1:2), with the CAS registry number 150208-70-1, is also known as 1, 4-Diazabicyclo[3.3.2]nonane 2HCl. This chemical's molecular formula is C7H16Cl2N2 and molecular weight is 199.12. What's more, its systematic name is 1, 4-Diazabicyclo[3.2.2]nonane dihydrochloride.
Physical properties about 1, 4-Diazabicyclo[3.2.2]nonane, hydrochloride (1:2) are: (1)ACD/LogP: 0.56; (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)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 15.27 Å2; (11)Flash Point: 118.5 °C; (12)Enthalpy of Vaporization: 52.09 kJ/mol; (13)Boiling Point: 272.3 °C at 760 mmHg; (14)Vapour Pressure: 0.00474 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Cl.Cl.C1CN2CCC1NCC2
(2) InChI: InChI=1/C7H14N2.2ClH/c1-4-9-5-2-7(1)8-3-6-9;;/h7-8H,1-6H2;2*1H
(3) InChIKey: QNJSIGUFGXHSMG-UHFFFAOYAA