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CAS No.: | 89182-14-9 |
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Name: | 2-amino-3-chloro-5-methyl-pyrazine |
Molecular Structure: | |
Formula: | C5H6ClN3 |
Molecular Weight: | 143.576 |
Synonyms: | Pyrazine,2-amino-3-chloro-5-methyl- (7CI); |
Density: | 1.349g/cm3 |
Melting Point: | 58-82℃ |
Boiling Point: | 252.3 °C at 760 mmHg |
Flash Point: | 106.4 °C |
PSA: | 51.80000 |
LogP: | 1.60180 |
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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