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CAS No.: | 60419-81-0 |
---|---|
Name: | 5-METHYL-4-PHENYL-2H-PYRAZOL-3-YLAMINE |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C10H11N3 |
Molecular Weight: | 173.217 |
Synonyms: | Pyrazole,3(or 5)-amino-5(or 3)-methyl-4-phenyl- (6CI,7CI);5-Amino-3-methyl-4-phenylpyrazole;5-Methyl-4-phenyl-1H-pyrazol-3-amine; |
Density: | 1.196g/cm3 |
Melting Point: | 140-141°C |
Boiling Point: | 368.5 °C at 760 mmHg |
Flash Point: | 204.3 °C |
Hazard Symbols: | Xi,Xn |
Risk Codes: | 22 |
PSA: | 54.70000 |
LogP: | 2.54850 |
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The 1H-Pyrazol-3-amine,5-methyl-4-phenyl-, with CAS registry number 60419-81-0, has the systematic name of 3-methyl-4-phenyl-1H-pyrazol-5-amine. Besides this, it is also called 5-Methyl-4-phenyl-2h-pyrazol-3-ylamine. And the chemical formula of this chemical is C10H11N3.
Physical properties of 1H-Pyrazol-3-amine,5-methyl-4-phenyl-: (1)ACD/LogP: 1.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.18; (4)ACD/LogD (pH 7.4): 1.24; (5)ACD/BCF (pH 5.5): 4.5; (6)ACD/BCF (pH 7.4): 5.15; (7)ACD/KOC (pH 5.5): 98.29; (8)ACD/KOC (pH 7.4): 112.45; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 21.06 Å2; (13)Index of Refraction: 1.643; (14)Molar Refractivity: 52.43 cm3; (15)Molar Volume: 144.8 cm3; (16)Polarizability: 20.78×10-24cm3; (17)Surface Tension: 56.9 dyne/cm; (18)Density: 1.196 g/cm3; (19)Flash Point: 204.3 °C; (20)Enthalpy of Vaporization: 61.51 kJ/mol; (21)Boiling Point: 368.5 °C at 760 mmHg; (22)Vapour Pressure: 1.27E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: n2c(c(c1ccccc1)c(n2)C)N
(2)InChI: InChI=1/C10H11N3/c1-7-9(10(11)13-12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H3,11,12,13)
(3)InChIKey: UMDNRKCXSUJMCY-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C10H11N3/c1-7-9(10(11)13-12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H3,11,12,13)
(5)Std. InChIKey: UMDNRKCXSUJMCY-UHFFFAOYSA-N