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28386-90-5

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Basic Information
CAS No.: 28386-90-5
Name: 1-benzyl-5-phenyl-1H-tetrazole
Article Data: 14
Molecular Structure:
Molecular Structure of 28386-90-5 (1-benzyl-5-phenyl-1H-tetrazole)
Formula: C14H12N4
Molecular Weight: 236.276
Density: 1.19 g/cm3
Boiling Point: 430.3 °C at 760 mmHg
Flash Point: 214 °C
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Specification

The CAS registry number of 1H-Tetrazole,5-phenyl-1-(phenylmethyl)- is 28386-90-5. This chemical's molecular formula is C14H12N4 and molecular weight is 236.2719. What's more, its systematic name is called 1-Benzyl-5-phenyl-1H-tetrazole.

Physical properties about 1H-Tetrazole,5-phenyl-1-(phenylmethyl)- are: (1)ACD/LogP: 3.18; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 43.6 Å2; (7)Index of Refraction: 1.656; (8)Molar Refractivity: 72.53 cm3; (9)Molar Volume: 197.3 cm3; (10)Polarizability: 28.75×10-24 cm3; (11)Surface Tension: 49.6 dyne/cm; (12)Density: 1.19 g/cm3; (13)Flash Point: 214 °C; (14)Enthalpy of Vaporization: 68.57 kJ/mol; (15)Boiling Point: 430.3 °C at 760 mmHg; (16)Vapour Pressure: 1.31E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: n1nnn(c1c2ccccc2)Cc3ccccc3
(2) InChI: InChI=1/C14H12N4/c1-3-7-12(8-4-1)11-18-14(15-16-17-18)13-9-5-2-6-10-13/h1-10H,11H2
(3) InChIKey: YTRHEDWQEBRFOU-UHFFFAOYAC