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

Name
5-(2-Methoxyphenyl)-4H-1,2,4-triazol-3-amine
EINECS
CAS No. 303192-36-1
Density 1.304 g/cm³
Solubility
Melting Point
Formula C₉H₁₀N₄O
Boiling Point 455.1 °C at 760 mmHg
Molecular Weight 190.205
Flash Point 229 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-1,2,4-Triazol-3-amine,5-(2-methoxyphenyl)- (9CI);5-(2-Methoxyphenyl)-4H-1,2,4-triazol-3-amine;
PSA 76.82000
LogP 1.64370

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

The 5-(2-Methoxyphenyl)-4H-1,2,4-triazol-3-amine, with CAS registry number 303192-36-1, has the systematic name of 5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-amine. Besides this, it is also called 4H-1,2,4-Triazol-3-amine, 5-(2-methoxyphenyl)-. And the chemical formula of this chemical is C₉H₁₀N₄O.

Physical properties about this chemical are: (1)ACD/LogP: 0.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.92; (4)ACD/LogD (pH 7.4): 0.93; (5)ACD/BCF (pH 5.5): 2.92; (6)ACD/BCF (pH 7.4): 2.98; (7)ACD/KOC (pH 5.5): 74.49; (8)ACD/KOC (pH 7.4): 75.99; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 43.18 Å²; (13)Index of Refraction: 1.637; (14)Molar Refractivity: 52.37 cm³; (15)Molar Volume: 145.7 cm³; (16)Polarizability: 20.76 ×10^-24cm³; (17)Surface Tension: 63.2 dyne/cm; (18)Enthalpy of Vaporization: 71.47 kJ/mol; (19)Vapour Pressure: 1.81E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1c(nnc1c2c(OC)cccc2)N
(2)InChI: InChI=1/C9H10N4O/c1-14-7-5-3-2-4-6(7)8-11-9(10)13-12-8/h2-5H,1H3,(H3,10,11,12,13)
(3)InChIKey: VPYFFIZLDRLOFQ-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C9H10N4O/c1-14-7-5-3-2-4-6(7)8-11-9(10)13-12-8/h2-5H,1H3,(H3,10,11,12,13)
(5)Std. InChIKey: VPYFFIZLDRLOFQ-UHFFFAOYSA-N

Product Name

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

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

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