4H-1,2,4-Triazol-4-amine,3-phenyl- supplier

Name
3-PHENYL-4H-1,2,4-TRIAZOL-4-AMINE
EINECS
CAS No. 38345-23-2
Article Data5
CAS DataBase
Density 1.32 g/cm³
Solubility
Melting Point
Formula C₈H₈N₄
Boiling Point 371.3 °C at 760 mmHg
Molecular Weight 160.178
Flash Point 178.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Phenyl-4H-1,2,4-triazol-4-amine;
PSA 56.73000
LogP 1.24010

4H-1,2,4-Triazol-4-amine,3-phenyl- Specification

The 4H-1,2,4-Triazol-4-amine,3-phenyl-, with the CAS registry number of 38345-23-2, is also known as 3-Phenyl-4H-1,2,4-triazol-4-amine. Its molecular formula is C₈H₈N₄ and molecular weight is 160.175920. What's more, its IUPAC name is 3-Phenyl-1,2,4-triazol-4-amine.

Physical properties about the 4H-1,2,4-Triazol-4-amine,3-phenyl- are: (1)ACD/LogP: 1.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.06; (4)ACD/LogD (pH 7.4): 1.07; (5)ACD/BCF (pH 5.5): 3.76; (6)ACD/BCF (pH 7.4): 3.8; (7)ACD/KOC (pH 5.5): 89.64; (8)ACD/KOC (pH 7.4): 90.45; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 33.95 Å²; (13)Index of Refraction: 1.689; (14)Molar Refractivity: 46.29 cm³; (15)Molar Volume: 121.2 cm³; (16)Surface Tension: 57.8 dyne/cm; (17)Density: 1.32 g/cm³; (18)Flash Point: 178.4 °C; (19)Enthalpy of Vaporization: 61.83 kJ/mol; (20)Boiling Point: 371.3 °C at 760 mmHg; (21)Vapour Pressure: 1.04E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: n2nc(c1ccccc1)n(N)c2
(2) InChI: InChI=1/C8H8N4/c9-12-6-10-11-8(12)7-4-2-1-3-5-7/h1-6H,9H2
(3) InChIKey: DVJJKDFCKNSIDG-UHFFFAOYAL

Product Name

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

4H-1,2,4-Triazol-4-amine,3-phenyl- Specification

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