Name: 6-Chloro-N-cyclohexylpyrazin-2-amine
SKU: 642459-26-5

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Basic Information

Molecular Structure:
CAS No.:	642459-26-5
Name:	6-Chloro-N-cyclohexylpyrazin-2-amine
Article Data:	4

Formula:	C₁₀H₁₄ClN₃
Molecular Weight:	211.694
Synonyms:	Pyrazinamine, 6-chloro-N-cyclohexyl- (9CI);(6-Chloropyrazin-2-yl)(cyclohexyl)amine;N-(6-Chloropyrazin-2-yl)(cyclohexyl)amine;
Density:	1.247 g/cm³
Boiling Point:	344.542 °C at 760 mmHg
Flash Point:	162.173 °C
Hazard Symbols:	Xi
Risk Codes:	22
PSA:	37.81000
LogP:	2.94760

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Specification

The 2-Pyrazinamine, 6-chloro-N-cyclohexyl-, with the CAS registry number 642459-26-5, is also known as (6-Chloropyrazin-2-yl)(cyclohexyl)amine. It belongs to the product categories of Amines; Blocks; Pyridines. This chemical's molecular formula is C₁₀H₁₄ClN₃ and molecular weight is 211.6913. What's more, its systematic name is 6-Chloro-N-cyclohexylpyrazin-2-amine. In addition, this chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about 2-Pyrazinamine, 6-chloro-N-cyclohexyl- are: (1)ACD/LogP: 3.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 134; (6)ACD/BCF (pH 7.4): 134; (7)ACD/KOC (pH 5.5): 1162; (8)ACD/KOC (pH 7.4): 1162; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.81 Å²; (13)Index of Refraction: 1.599; (14)Molar Refractivity: 57.975 cm³; (15)Molar Volume: 169.792 cm³; (16)Polarizability: 22.983×10^-24 cm³; (17)Surface Tension: 52.84 dyne/cm; (18)Density: 1.247 g/cm³; (19)Flash Point: 162.173 °C; (20)Enthalpy of Vaporization: 58.852 kJ/mol; (21)Boiling Point: 344.542 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc2nc(NC1CCCCC1)cnc2
(2) InChI: InChI=1/C10H14ClN3/c11-9-6-12-7-10(14-9)13-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,13,14)
(3) InChIKey: OSOXULWILQPIFK-UHFFFAOYAW