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CAS No.: | 690632-18-9 |
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Name: | 4-(4-METHYL-4H-1,2,4-TRIAZOL-3-YL)ANILINE |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C9H10N4 |
Molecular Weight: | 174.205 |
Synonyms: | 4-(4-Methyl-1,2,4-triazol-3-yl)phenylamine; |
Density: | 1.27 g/cm3 |
Boiling Point: | 394.3 °C at 760 mmHg |
Flash Point: | 192.3 °C |
Hazard Symbols: | T |
Risk Codes: | 25 |
Safety: | 45 |
PSA: | 56.73000 |
LogP: | 1.64550 |
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The Benzenamine,4-(4-methyl-4H-1,2,4-triazol-3-yl)-, with the CAS registry number 690632-18-9, is also known as 4-(4-Methyl-1,2,4-triazol-3-yl)phenylamine. This chemical's molecular formula is C9H10N4 and molecular weight is 174.2. What's more, its systematic name is called 4-(4-Methyl-4H-1,2,4-triazol-3-yl)aniline.
Physical properties about Benzenamine,4-(4-methyl-4H-1,2,4-triazol-3-yl)- are: (1)ACD/LogP: 0.82; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.82; (4)ACD/LogD (pH 7.4): 0.82; (5)ACD/BCF (pH 5.5): 2.45; (6)ACD/BCF (pH 7.4): 2.48; (7)ACD/KOC (pH 5.5): 65.79; (8)ACD/KOC (pH 7.4): 66.64; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 33.95Å2; (13)Index of Refraction: 1.665; (14)Molar Refractivity: 50.71 cm3; (15)Molar Volume: 136.5 cm3; (16)Surface Tension: 51.3 dyne/cm; (17)Density: 1.27 g/cm3; (18)Flash Point: 192.3 °C; (19)Enthalpy of Vaporization: 64.43 kJ/mol; (20)Boiling Point: 394.3 °C at 760 mmHg; (21)Vapour Pressure: 2E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: n2nc(c1ccc(N)cc1)n(c2)C
(2) InChI: InChI=1/C9H10N4/c1-13-6-11-12-9(13)7-2-4-8(10)5-3-7/h2-6H,10H2,1H3
(3) InChIKey: FUZWWFVYRMIXMT-UHFFFAOYAI