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CAS No.: | 120739-79-9 |
---|---|
Name: | METHYL-PYRAZIN-2-YLMETHYL-AMINE |
Molecular Structure: | |
Formula: | C6H9N3 |
Molecular Weight: | 123.158 |
Synonyms: | Pyrazinemethanamine,N-methyl- (9CI); |
EINECS: | 604-604-1 |
Density: | 1.048 g/cm3 |
Boiling Point: | 190.5 °C at 760 mmHg |
Flash Point: | 69 °C |
Risk Codes: | 41 |
Safety: | 26-39 |
PSA: | 37.81000 |
LogP: | 0.58690 |
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The 2-Pyrazinemethanamine, N-methyl-, with the CAS registry number of 120739-79-9, is also known as Methyl pyrazin-2-ylmethyl-amine. This chemical's molecular formula is C6H9N3 and molecular weight is 123.16. What's more, its systematic name is called N-Methyl-1-(pyrazin-2-yl)methanamine.
Physical properties about 2-Pyrazinemethanamine, N-methyl- are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 2.42; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 37.81 Å2; (10)Index of Refraction: 1.517; (11)Molar Refractivity: 35.57 cm3; (12)Molar Volume: 117.5 cm3; (13)Surface Tension: 42.5 dyne/cm; (14)Density: 1.048 g/cm3; (15)Flash Point: 69 °C; (16)Enthalpy of Vaporization: 42.67 kJ/mol; (17)Boiling Point: 190.5 °C at 760 mmHg; (18)Vapour Pressure: 0.539 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CNCc1cnccn1
(2) InChI: InChI=1/C6H9N3/c1-7-4-6-5-8-2-3-9-6/h2-3,5,7H,4H2,1H3
(3) InChIKey: LPLXKLMQYQPDPA-UHFFFAOYAT