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32515-07-4

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Basic Information
CAS No.: 32515-07-4
Name: 1-BENZYL-4-PHENYL-1H-1,2,3-TRIAZOL-5-AMINE
Article Data: 7
Molecular Structure:
Molecular Structure of 32515-07-4 (1-BENZYL-4-PHENYL-1H-1,2,3-TRIAZOL-5-AMINE)
Formula: C15H14N4
Molecular Weight: 250.303
Synonyms: 1H-1,2,3-Triazole,5-amino-1-benzyl-4-phenyl- (6CI,8CI);5-Amino-1-benzyl-4-phenyl-1,2,3-triazole;1-Benzyl-4-phenyl-1H-1,2,3-triazol-5-amine;
Density: 1.21 g/cm3
Melting Point: 158 °C
Boiling Point: 479.2 °C at 760 mmHg
Flash Point: 243.6 °C
Hazard Symbols: Xn
Risk Codes: 22
PSA: 56.73000
LogP: 3.15680
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Specification

The CAS register number of 1H-1,2,3-Triazol-5-amine,4-phenyl-1-(phenylmethyl)- is 32515-07-4. It also can be called as 1-Benzyl-4-phenyl-1H-1,2,3-triazol-5-amine and the IUPAC name about this chemical is 3-benzyl-5-phenyltriazol-4-amine. The molecular formula about this chemical is C15H14N4 and the molecular weight is 250.3.

Physical properties about 1H-1,2,3-Triazol-5-amine,4-phenyl-1-(phenylmethyl)- are: (1)ACD/LogP: 1.85; (2)#H bond acceptors: 4; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 33.95Å2; (6)Index of Refraction: 1.661; (7)Molar Refractivity: 76 cm3; (8)Molar Volume: 205.5 cm3; (9)Polarizability: 30.13X10-24cm3; (10)Surface Tension: 51.2 dyne/cm; (11)Flash Point: 243.6 °C; (12)Enthalpy of Vaporization: 74.34 kJ/mol; (13)Boiling Point: 479.2 °C at 760 mmHg; (14)Vapour Pressure: 2.42E-09 mmHg at 25°C.

Preparation: this chemical can be prepared by phenylacetonitrile and azidomethyl-benzene. This reaction will need reagent potassium tert-butylate and THF.

You can still convert the following datas into molecular structure:
(1)SMILES: n1nn(c(c1c2ccccc2)N)Cc3ccccc3
(2)InChI: InChI=1/C15H14N4/c16-15-14(13-9-5-2-6-10-13)17-18-19(15)11-12-7-3-1-4-8-12/h1-10H,11,16H2
(3)InChIKey: JTJNNNCLXPPMNC-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C15H14N4/c16-15-14(13-9-5-2-6-10-13)17-18-19(15)11-12-7-3-1-4-8-12/h1-10H,11,16H2
(5)Std. InChIKey: JTJNNNCLXPPMNC-UHFFFAOYSA-N