Basic Information | Post buying leads | Suppliers |
Name |
5-(2-Methylbenzyl)-4H-1,2,4-triazol-3-amine |
EINECS | N/A |
CAS No. | 502685-45-2 | Density | 1.237 g/cm3 |
PSA | 68.32000 | LogP | 1.21620 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H12N4 | Boiling Point | 443.8 °C at 760 mmHg |
Molecular Weight | 188.23 | Flash Point | 252.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1H-1,2,4-Triazol-3-amine,5-[(2-methylphenyl)methyl]- (9CI);5-(2-Methylbenzyl)-4H-1,2,4-triazol-3-amine; |
The CAS register number of 5-(2-Methylbenzyl)-4H-1,2,4-triazol-3-amine is 502685-45-2. It also can be called as 1H-1,2,4-Triazol-5-amine,3-[(2-methylphenyl)methyl]- and the systematic name about this chemical is 5-(2-methylbenzyl)-1H-1,2,4-triazol-3-amine. The molecular formula about this chemical is C10H12N4 and the molecular weight is 188.23.
Physical properties about 5-(2-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): 4.85; (5)ACD/BCF (pH 7.4): 5.19; (6)ACD/KOC (pH 5.5): 105.73; (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: 33.95Å2; (12)Index of Refraction: 1.646; (13)Molar Refractivity: 55.24 cm3; (14)Molar Volume: 152.1 cm3; (15)Polarizability: 21.9x10-24cm3; (16)Surface Tension: 63.6 dyne/cm; (17)Enthalpy of Vaporization: 70.15 kJ/mol; (18)Boiling Point: 443.8 °C at 760 mmHg; (19)Vapour Pressure: 4.5E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: n1c(nnc1Cc2c(cccc2)C)N
(2)InChI: InChI=1/C10H12N4/c1-7-4-2-3-5-8(7)6-9-12-10(11)14-13-9/h2-5H,6H2,1H3,(H3,11,12,13,14)
(3)InChIKey: QOSINSBQQNOWOB-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C10H12N4/c1-7-4-2-3-5-8(7)6-9-12-10(11)14-13-9/h2-5H,6H2,1H3,(H3,11,12,13,14)
(5)Std. InChIKey: QOSINSBQQNOWOB-UHFFFAOYSA-N