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4H-1,2,4-Triazol-3-amine,4-ethyl-

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Name

4H-1,2,4-Triazol-3-amine,4-ethyl-

EINECS N/A
CAS No. 42786-06-1 Density 1.33 g/cm3
PSA 57.46000 LogP -0.18970
Solubility N/A Melting Point N/A
Formula C4H8N4 Boiling Point 281.2 °C at 760 mmHg
Molecular Weight 112.134 Flash Point 123.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 42786-06-1 (4-Ethyl-4H-1,2,4-triazol-3-amine) Hazard Symbols N/A
Synonyms

4H-1,2,4-Triazole,3-amino-4-ethyl- (7CI);

Article Data 4

4H-1,2,4-Triazol-3-amine,4-ethyl- Specification

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

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