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

Name
5-AMINO-1-METHYL-3-PHENYLPYRAZOLE
EINECS -0
CAS No. 10199-50-5
Article Data15
CAS DataBase
Density 1.17 g/cm³
Solubility
Melting Point 125-128 °C
Formula C₁₀H₁₁N₃
Boiling Point 368.1 °C at 760 mmHg
Molecular Weight 173.217
Flash Point 176.4 °C
Transport Information
Appearance cream crystals
Safety 26-37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms (2-Methyl-5-phenyl-2H-pyrazol-3-yl)amine;1-Methyl-3-phenyl-5-aminopyrazole;3-Amino-2-methyl-5-phenyl-2H-pyrazole;5-Amino-1-methyl-3-phenylpyrazole;1-methyl-3-phenyl-1H-pyrazol-5-amine;
PSA 43.84000
LogP 2.25050

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

The 1H-Pyrazol-5-amine,1-methyl-3-phenyl-, with the CAS registry number 10199-50-5, is also known as 1-Methyl-3-phenyl-5-pyrazolamine. This chemical's molecular formula is C₁₀H₁₁N₃ and molecular weight is 173.21. What's more, its systematic name is 1-methyl-3-phenyl-1H-pyrazol-5-amine.

Physical properties of 1H-Pyrazol-5-amine,1-methyl-3-phenyl- are: (1)ACD/LogP: 0.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.36; (4)ACD/LogD (pH 7.4): 0.36; (5)ACD/BCF (pH 5.5): 1.11; (6)ACD/BCF (pH 7.4): 1.11; (7)ACD/KOC (pH 5.5): 37.34; (8)ACD/KOC (pH 7.4): 37.61; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 21.06 Å²; (13)Index of Refraction: 1.624; (14)Molar Refractivity: 52.27 cm³; (15)Molar Volume: 147.8 cm³; (16)Polarizability: 20.72×10^-24cm³; (17)Surface Tension: 45.6 dyne/cm; (18)Density: 1.17 g/cm³; (19)Flash Point: 176.4 °C; (20)Enthalpy of Vaporization: 61.47 kJ/mol; (21)Boiling Point: 368.1 °C at 760 mmHg; (22)Vapour Pressure: 1.3E-05 mmHg at 25 °C.

Preparation: this chemical can be prepared by methylhydrazine and 3-chloro-3-phenyl-acrylonitrile by heating. This reaction will need solvent ethanol with the reaction time of 5 hours. The yield is about 29%.

1H-pyrazol-5-amine,1-methyl-3-phenyl- can be prepared by methylhydrazine and 3-chloro-3-phenyl-acrylonitrile

Uses of 1H-Pyrazol-5-amine,1-methyl-3-phenyl-: it can be used to produce 4-cyclohex-1-enyl-2-methyl-5-phenyl-2H-pyrazol-3-ylamine at the temperature of 50 °C. It will need solvent acetic acid with the reaction time of 8 hours. The yield is about 56%.

1H-pyrazol-5-amine,1-methyl-3-phenyl- can be used to produce 4-cyclohex-1-enyl-2-methyl-5-phenyl-2H-pyrazol-3-ylamine

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: n2c(c1ccccc1)cc(N)n2Cn2c(c1ccccc1)cc(N)n2C
(2)InChI: InChI=1/C10H11N3/c1-13-10(11)7-9(12-13)8-5-3-2-4-6-8/h2-7H,11H2,1H3
(3)InChIKey: KCYRMURRLLYLPU-UHFFFAOYAO

Product Name

5-AMINO-1-METHYL-3-PHENYLPYRAZOLE

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

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