1H-1,2,3-Triazol-5-amine,4-phenyl-1-(phenylmethyl)- supplier

Name
1-BENZYL-4-PHENYL-1H-1,2,3-TRIAZOL-5-AMINE
EINECS
CAS No. 32515-07-4
Article Data7
CAS DataBase
Density 1.21 g/cm³
Solubility
Melting Point 158 °C
Formula C₁₅H₁₄N₄
Boiling Point 479.2 °C at 760 mmHg
Molecular Weight 250.303
Flash Point 243.6 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
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;
PSA 56.73000
LogP 3.15680

1H-1,2,3-Triazol-5-amine,4-phenyl-1-(phenylmethyl)- 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

Product Name

1-BENZYL-4-PHENYL-1H-1,2,3-TRIAZOL-5-AMINE

1H-1,2,3-Triazol-5-amine,4-phenyl-1-(phenylmethyl)- Specification

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