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Basic Information
CAS No.: 686277-32-7
Name: 6-CHLORO-N-(2-METHYLPROPYL)-3-PYRIDAZINAMINE
Molecular Structure:
Molecular Structure of 686277-32-7 (6-CHLORO-N-(2-METHYLPROPYL)-3-PYRIDAZINAMINE)
Formula: C8H12ClN3
Molecular Weight: 185.656
Synonyms: 6-Chloro-N-isobutyl-3-pyridazinamine;
Density: 1.181 g/cm3
Boiling Point: 360.9 °C at 760 mmHg
Flash Point: 172.1 °C
PSA: 37.81000
LogP: 2.27090
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Specification

The 3-Pyridazinamine,6-chloro-N-(2-methylpropyl)-, with the CAS registry number 686277-32-7, is also known as 6-Chloro-N-isobutyl-3-pyridazinamine. This chemical's molecular formula is C8H12ClN3 and molecular weight is 185.654. What's more, its systematic name is called 6-Chloro-N-(2-methylpropyl)pyridazin-3-amine.

Physical properties about 3-Pyridazinamine,6-chloro-N-(2-methylpropyl)- are: (1)ACD/LogP: 1.07; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.07; (4)ACD/LogD (pH 7.4): 1.07; (5)ACD/BCF (pH 5.5): 3.84; (6)ACD/BCF (pH 7.4): 3.85; (7)ACD/KOC (pH 5.5): 91.22; (8)ACD/KOC (pH 7.4): 91.33; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.02 Å2; (13)Index of Refraction: 1.559; (14)Molar Refractivity: 50.79 cm3; (15)Molar Volume: 157.1 cm3; (16)Polarizability: 20.13×10-24 cm3; (17)Surface Tension: 44.9 dyne/cm; (18)Density: 1.181 g/cm3; (19)Flash Point: 172.1 °C; (20)Enthalpy of Vaporization: 60.67 kJ/mol; (21)Boiling Point: 360.9 °C at 760 mmHg; (22)Vapour Pressure: 2.15E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1nnc(NCC(C)C)cc1
(2) InChI: InChI=1/C8H12ClN3/c1-6(2)5-10-8-4-3-7(9)11-12-8/h3-4,6H,5H2,1-2H3,(H,10,12)
(3) InChIKey: WWKAEZGQGBNFMV-UHFFFAOYAE