1H-Pyrazol-5-amine, 3-methyl-4-phenyl- supplier

Name
3-AMINO-5-METHYL-4-PHENYLPYRAZOLE
EINECS
CAS No. 31924-81-9
Article Data7
CAS DataBase
Density 1.196 g/cm³
Solubility
Melting Point 140-142 °C
Formula C₁₀H₁₁N₃
Boiling Point 368.5 °C at 760 mmHg
Molecular Weight 173.217
Flash Point 204.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-AMINO-5-METHYL-4-PHENYLPYRAZOLE;5-METHYL-4-PHENYL-1H-PYRAZOLE-3-YLAMINE
PSA 54.70000
LogP 2.54850

1H-Pyrazol-5-amine, 3-methyl-4-phenyl- Specification

The 1H-Pyrazol-5-amine,3-methyl-4-phenyl- has CAS registry number 31924-81-9. This chemical's molecular formula is C₁₀H₁₁N₃ and molecular weight is 173.21. What's more, its systematic name is 3-methyl-4-phenyl-1H-pyrazol-5-amine.

Physical properties of 1H-Pyrazol-5-amine,3-methyl-4-phenyl- are: (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)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)
(3)Std. InChIKey: UMDNRKCXSUJMCY-UHFFFAOYSA-N

Product Name

3-AMINO-5-METHYL-4-PHENYLPYRAZOLE

1H-Pyrazol-5-amine, 3-methyl-4-phenyl- Specification

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