The 2-Pyrazinamine,3-chloro-5-methyl-, with CAS registry number 89182-14-9, belongs to the following product category: Piperazine series. It has the systematic name of 3-chloro-5-methylpyrazin-2-amine. Besides this, it is also called 3-Chloro-5-methyl-2-pyrazinamine. And the chemical formula of this chemical is C5H6ClN3.
Physical properties of 2-Pyrazinamine,3-chloro-5-methyl-: (1)ACD/LogP: 1.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.91; (4)ACD/LogD (pH 7.4): 1.91; (5)ACD/BCF (pH 5.5): 16.55; (6)ACD/BCF (pH 7.4): 16.55; (7)ACD/KOC (pH 5.5): 259.47; (8)ACD/KOC (pH 7.4): 259.48; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 51.8 Å2; (13)Index of Refraction: 1.599; (14)Molar Refractivity: 36.39 cm3; (15)Molar Volume: 106.3 cm3; (16)Polarizability: 14.42×10-24cm3; (17)Surface Tension: 59 dyne/cm; (18)Enthalpy of Vaporization: 48.96 kJ/mol; (19)Vapour Pressure: 0.0195 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cnc(N)c(Cl)n1
(2)InChI: InChI=1/C5H6ClN3/c1-3-2-8-5(7)4(6)9-3/h2H,1H3,(H2,7,8)
(3)InChIKey: JPMJUTNVPDDMKZ-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C5H6ClN3/c1-3-2-8-5(7)4(6)9-3/h2H,1H3,(H2,7,8)
(5)Std. InChIKey: JPMJUTNVPDDMKZ-UHFFFAOYSA-N
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View