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

Name
5-(2-Methylphenyl)-4H-1,2,4-triazol-3-amine
EINECS
CAS No. 59301-23-4
Article Data2
CAS DataBase
Density 1.261 g/cm³
Solubility
Melting Point
Formula C₉H₁₀N₄
Boiling Point 421.3 °C at 760 mmHg
Molecular Weight 174.205
Flash Point 238.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-1,2,4-Triazol-3-amine,5-(2-methylphenyl)- (9CI);
PSA 67.59000
LogP 1.94350

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

This chemical is called 5-(2-Methylphenyl)-4H-1,2,4-triazol-3-amine, and it can also be named as 1H-1,2,4-triazol-3-amine, 5-(2-methylphenyl)-. With the molecular formula of C₉H₁₀N₄, its molecular weight is 174.20. The CAS registry number of this chemical is 59301-23-4.

Other characteristics of the 5-(2-Methylphenyl)-4H-1,2,4-triazol-3-amine can be summarised as followings: (1)ACD/LogP: 1.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.65; (4)ACD/LogD (pH 7.4): 1.66; (5)ACD/BCF (pH 5.5): 10.46; (6)ACD/BCF (pH 7.4): 10.71; (7)ACD/KOC (pH 5.5): 185.49; (8)ACD/KOC (pH 7.4): 189.9; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 33.95 Å²; (13)Index of Refraction: 1.652; (14)Molar Refractivity: 50.52 cm³; (15)Molar Volume: 138 cm³; (16)Polarizability: 20.02×10^-24cm³; (17)Surface Tension: 65 dyne/cm; (18)Density: 1.261 g/cm³; (19)Flash Point: 238.1 °C; (20)Enthalpy of Vaporization: 67.52 kJ/mol; (21)Boiling Point: 421.3 °C at 760 mmHg; (22)Vapour Pressure: 2.64E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: n1c(nnc1c2c(cccc2)C)N
2.InChI: InChI=1/C9H10N4/c1-6-4-2-3-5-7(6)8-11-9(10)13-12-8/h2-5H,1H3,(H3,10,11,12,13)
3.InChIKey: JTVXXFOZWWQLPB-UHFFFAOYAD

Product Name

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

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

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