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72282-74-7

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Basic Information
CAS No.: 72282-74-7
Name: 1,4-Methanopyrazino(1,2-a)pyridazine, octahydro-
Molecular Structure:
Molecular Structure of 72282-74-7 (1,4-Methanopyrazino(1,2-a)pyridazine, octahydro-)
Formula: C9H16N2
Molecular Weight: 152.239
Synonyms: Octahydro-1,4-methanopyridazino[1,2-a]pyridazine;
Density: 1.12 g/cm3
Boiling Point: 224.5 °C at 760 mmHg
Flash Point: 84.3 °C
PSA: 6.48000
LogP: 1.10970
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Specification

The 1,4-Methanopyridazino[1,2-a]pyridazine,octahydro- has the CAS registry number 72282-74-7. This chemical's molecular formula is C9H16N2 and molecular weight is 152.24. What's more, its systematic name is octahydro-1,4-methanopyridazino[1,2-a]pyridazine. 

Physical properties of 1,4-Methanopyridazino[1,2-a]pyridazine,octahydro- are: (1)ACD/LogP: -0.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.07; (4)ACD/LogD (pH 7.4): -1.45; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1.22; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 45.3 cm3; (15)Molar Volume: 135.5 cm3; (16)Polarizability: 17.96×10-24cm3; (17)Surface Tension: 44.6 dyne/cm; (18)Density: 1.12 g/cm3; (19)Flash Point: 84.3 °C; (20)Enthalpy of Vaporization: 46.1 kJ/mol; (21)Boiling Point: 224.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0907 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CCN2C3CCC(C3)N2C1
(2)InChI: InChI=1S/C9H16N2/c1-2-6-11-9-4-3-8(7-9)10(11)5-1/h8-9H,1-7H2
(3)InChIKey: JGXOJRWDPCAELA-UHFFFAOYSA-N