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CAS No.: | 42786-06-1 |
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Name: | 4-Ethyl-4H-1,2,4-triazol-3-amine |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C4H8N4 |
Molecular Weight: | 112.134 |
Synonyms: | 4H-1,2,4-Triazole,3-amino-4-ethyl- (7CI); |
Density: | 1.33 g/cm3 |
Boiling Point: | 281.2 °C at 760 mmHg |
Flash Point: | 123.9 °C |
PSA: | 57.46000 |
LogP: | -0.18970 |
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The 4H-1, 2, 4-Triazol-3-amine, 4-ethyl-, with the CAS registry number of 42786-06-1, is also known as 4-Ethyl-4H-1, 2, 4-triazol-3-amine. This chemical's molecular formula is C4H8N4 and molecular weight is 112.1331. What's more, its IUPAC name is 4-Ethyl-1, 2, 4-triazol-3-amine.
Physical properties about 4H-1, 2, 4-Triazol-3-amine, 4-ethyl- are: (1)ACD/LogP: -0.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.64; (4)ACD/LogD (pH 7.4): -0.59; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 10.26; (8)ACD/KOC (pH 7.4): 11.32; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 33.95 Å2; (13)Index of Refraction: 1.637; (14)Molar Refractivity: 30.21 cm3; (15)Molar Volume: 84.1 cm3; (16)Surface Tension: 53.1 dyne/cm; (17)Density: 1.33 g/cm3; (18)Flash Point: 123.9 °C; (19)Enthalpy of Vaporization: 52 kJ/mol; (20)Boiling Point: 281.2 °C at 760 mmHg; (21)Vapour Pressure: 0.00361 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: n1nc(N)n(c1)CC
(2) InChI: InChI=1/C4H8N4/c1-2-8-3-6-7-4(8)5/h3H,2H2,1H3,(H2,5,7)
(3) InChIKey: OTXAZICPXWFRME-UHFFFAOYAA