Molecular structure of 5-(2-Nitrobenzyl)-4H-1,2,4-triazol-3-amine (CAS NO.502686-25-1) is:
Product Name: 5-(2-Nitrobenzyl)-4H-1,2,4-triazol-3-amine
CAS Registry Number: 502686-25-1
Molecular Formula: C9H9N5O2
Molecular Weight: 219.20
Index of Refraction: 1.697
Molar Refractivity: 56.96 cm3
Molar Volume: 147.7 cm3
Surface Tension: 84.2 dyne/cm
Density: 1.483 g/cm3
Flash Point: 263.9 °C
Enthalpy of Vaporization: 78.41 kJ/mol
Boiling Point: 512.8 °C at 760 mmHg
Vapour Pressure: 1.25E-10 mmHg at 25 °C
SMILES: [O-][N+](=O)c1ccccc1Cc2nc(nn2)N
InChI: InChI=1/C9H9N5O2/c10-9-11-8(12-13-9)5-6-3-1-2-4-7(6)14(15)16/h1-4H,5H2,(H3,10,11,12,13)
InChIKey: MODDVXMNVIWQNS-UHFFFAOYAS
5-(2-Nitrobenzyl)-4H-1,2,4-triazol-3-amine , its cas register number is 502686-25-1. It also can be called 1H-1,2,4-Triazol-5-amine,3-[(2-nitrophenyl)methyl]- .
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