5-(3-Methoxyphenyl)-4H-1,2,4-triazol-3-amine supplier

Name
5-(3-Methoxyphenyl)-4H-1,2,4-triazol-3-amine
EINECS
CAS No. 289710-96-9
Article Data3
CAS DataBase
Density 1.304 g/cm³
Solubility
Melting Point
Formula C₉H₁₀N₄O
Boiling Point 454.4 °C at 760 mmHg
Molecular Weight 190.205
Flash Point 228.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-1,2,4-Triazol-3-amine,5-(3-methoxyphenyl)- (9CI);
PSA 77.55000
LogP 0.99260

5-(3-Methoxyphenyl)-4H-1,2,4-triazol-3-amine Specification

The 5-(3-Methoxyphenyl)-4H-1,2,4-triazol-3-amine, with the CAS registry number 289710-96-9, is also known as 4H-1,2,4-Triazol-3-amine, 5-(3-methoxyphenyl)-. This chemical's molecular formula is C₉H₁₀N₄O and molecular weight is 190.20. Its systematic name is called 5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-amine.

Physical properties of 5-(3-Methoxyphenyl)-4H-1,2,4-triazol-3-amine: (1)ACD/LogP: 1.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.36; (4)ACD/LogD (pH 7.4): 1.36; (5)ACD/BCF (pH 5.5): 6.28; (6)ACD/BCF (pH 7.4): 6.38; (7)ACD/KOC (pH 5.5): 128.99; (8)ACD/KOC (pH 7.4): 130.95; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.637; (13)Molar Refractivity: 52.37 cm³; (14)Molar Volume: 145.7 cm³; (15)Surface Tension: 63.2 dyne/cm; (16)Density: 1.304 g/cm³; (17)Flash Point: 228.6 °C; (18)Enthalpy of Vaporization: 71.39 kJ/mol; (19)Boiling Point: 454.4 °C at 760 mmHg; (20)Vapour Pressure: 1.92E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1c(nnc1c2cc(OC)ccc2)N
(2)InChI: InChI=1/C9H10N4O/c1-14-7-4-2-3-6(5-7)8-11-9(10)13-12-8/h2-5H,1H3,(H3,10,11,12,13)
(3)InChIKey: WTMPUXCDDIAQHR-UHFFFAOYAA

Product Name

5-(3-Methoxyphenyl)-4H-1,2,4-triazol-3-amine

5-(3-Methoxyphenyl)-4H-1,2,4-triazol-3-amine Specification

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