1-(6-Chloro-3-pyridazinyl)-4-piperidinol supplier

Name
1-(6-Chloro-3-pyridazinyl)-4-piperidinol
EINECS
CAS No. 89937-26-8
Article Data5
CAS DataBase
Density 1.36 g/cm³
Solubility
Melting Point
Formula C₉H₁₂ClN₃O
Boiling Point 453.3 °C at 760 mmHg
Molecular Weight 213.66
Flash Point 228 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 1-(6-Chloropyridazin-3-yl)piperidin-4-ol;4-Piperidinol, 1-(6-chloro-3-pyridazinyl)-;
PSA 49.25000
LogP 1.15610

1-(6-Chloro-3-pyridazinyl)-4-piperidinol Specification

The 1-(6-Chloro-3-pyridazinyl)-4-piperidinol, with the CAS registry number 89937-26-8, has the systematic name of 1-(6-chloropyridazin-3-yl)piperidin-4-ol. And the molecular formula of the chemical is C₉H₁₂ClN₃O.

The characteristics of this chemical are as followings: (1)ACD/LogP: 0.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.34; (4)ACD/LogD (pH 7.4): 0.42; (5)ACD/BCF (pH 5.5): 1.01; (6)ACD/BCF (pH 7.4): 1.22; (7)ACD/KOC (pH 5.5): 33.33; (8)ACD/KOC (pH 7.4): 40.04; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 38.25 Å²; (13)Index of Refraction: 1.599; (14)Molar Refractivity: 53.73 cm³; (15)Molar Volume: 157 cm³; (16)Polarizability: 21.3×10^-24cm³; (17)Surface Tension: 63.8 dyne/cm; (18)Density: 1.36 g/cm³; (19)Flash Point: 228 °C; (20)Enthalpy of Vaporization: 75.1 kJ/mol; (21)Boiling Point: 453.3 °C at 760 mmHg; (22)Vapour Pressure: 5.24E-09 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1nnc(cc1)N2CCC(O)CC2
(2)InChI: InChI=1/C9H12ClN3O/c10-8-1-2-9(12-11-8)13-5-3-7(14)4-6-13/h1-2,7,14H,3-6H2
(3)InChIKey: GYVIZUPSUNWREG-UHFFFAOYAC

Product Name

1-(6-Chloro-3-pyridazinyl)-4-piperidinol

1-(6-Chloro-3-pyridazinyl)-4-piperidinol Specification

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