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898656-60-5

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Basic Information
CAS No.: 898656-60-5
Name: 6-Chloro-N-(3-methoxypropyl)pyridazin-3-amine
Molecular Structure:
Molecular Structure of 898656-60-5 (6-Chloro-N-(3-methoxypropyl)pyridazin-3-amine)
Formula: C8H12ClN3O
Molecular Weight: 201.6534
Synonyms: F3266-0103
Density: 1.236 g/cm3
Boiling Point: 397.509 °C at 760 mmHg
Flash Point: 194.207 °C
Hazard Symbols: IrritantXi
PSA: 47.04000
LogP: 1.65140
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Specification

The 3-Pyridazinamine,6-chloro-N-(3-methoxypropyl)-, with CAS registry number 898656-60-5, belongs to the following product categories: (1)Amines; (2)Blocks. It has the systematic name of 6-chloro-N-(3-methoxypropyl)pyridazin-3-amine. And the chemical formula of this chemical is C8H12ClN3O.

Physical properties of 3-Pyridazinamine,6-chloro-N-(3-methoxypropyl)-: (1)ACD/LogP: 0.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 64; (8)ACD/KOC (pH 7.4): 65; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 47.04 Å2; (13)Index of Refraction: 1.558; (14)Molar Refractivity: 52.584 cm3; (15)Molar Volume: 163.171 cm3; (16)Polarizability: 20.846×10-24cm3; (17)Surface Tension: 47.938 dyne/cm; (18)Enthalpy of Vaporization: 64.796 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nnc(NCCCOC)cc1
(2)InChI: InChI=1/C8H12ClN3O/c1-13-6-2-5-10-8-4-3-7(9)11-12-8/h3-4H,2,5-6H2,1H3,(H,10,12)
(3)InChIKey: CPBNDYWWQHHHFQ-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C8H12ClN3O/c1-13-6-2-5-10-8-4-3-7(9)11-12-8/h3-4H,2,5-6H2,1H3,(H,10,12)
(5)Std. InChIKey: CPBNDYWWQHHHFQ-UHFFFAOYSA-N