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

Name
5-(3-Methylbenzyl)-4H-1,2,4-triazol-3-amine
EINECS
CAS No. 502685-82-7
Density 1.237 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₂N₄
Boiling Point 439.7 °C at 760 mmHg
Molecular Weight 188.23
Flash Point 249.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-1,2,4-Triazol-3-amine,5-[(3-methylphenyl)methyl]- (9CI);
PSA 68.32000
LogP 1.21620

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

The 5-(3-Methylbenzyl)-4H-1,2,4-triazol-3-amine is an organic compound with the formula C₁₀H₁₂N₄. The systematic name of this chemical is 5-(3-methylbenzyl)-1H-1,2,4-triazol-3-amine. With the CAS registry number 502685-82-7, it is also named as 4H-1,2,4-triazol-3-amine, 5-[(3-methylphenyl)methyl]-.

Physical properties about 5-(3-Methylbenzyl)-4H-1,2,4-triazol-3-amine are: (1)ACD/LogP: 1.25; (2)ACD/LogD (pH 5.5): 1.21; (3)ACD/LogD (pH 7.4): 1.24; (4)ACD/BCF (pH 5.5): 4.77; (5)ACD/BCF (pH 7.4): 5.19; (6)ACD/KOC (pH 5.5): 103.88; (7)ACD/KOC (pH 7.4): 113.13; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 33.95 Å²; (12)Index of Refraction: 1.646; (13)Molar Refractivity: 55.24 cm³; (14)Molar Volume: 152.1 cm³; (15)Polarizability: 21.9×10^-24cm³; (16)Surface Tension: 63.6 dyne/cm; (17)Density: 1.237 g/cm³; (18)Flash Point: 249.9 °C; (19)Enthalpy of Vaporization: 69.67 kJ/mol; (20)Boiling Point: 439.7 °C at 760 mmHg; (21)Vapour Pressure: 6.26E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1c(nnc1Cc2cc(ccc2)C)N
(2)InChI: InChI=1/C10H12N4/c1-7-3-2-4-8(5-7)6-9-12-10(11)14-13-9/h2-5H,6H2,1H3,(H3,11,12,13,14)
(3)InChIKey: YRARPHKZEXXFNS-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C10H12N4/c1-7-3-2-4-8(5-7)6-9-12-10(11)14-13-9/h2-5H,6H2,1H3,(H3,11,12,13,14)
(5)Std. InChIKey: YRARPHKZEXXFNS-UHFFFAOYSA-N

Product Name

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

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

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