Benzenamine, 4-(1-methyl-1H-pyrazol-3-yl)- supplier

Name
4-(1-methyl-1h-pyrazol-3-yl)aniline
EINECS
CAS No. 916766-82-0
Article Data2
CAS DataBase
Density 1.17 g/cm³
Solubility
Melting Point 125 °C
Formula C₁₀H₁₁N₃
Boiling Point 332.7 °C at 760 mmHg
Molecular Weight 173.217
Flash Point 155 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-(1-Methyl-1H-pyrazol-3-yl)phenylamine;
PSA 43.84000
LogP 2.25050

Benzenamine, 4-(1-methyl-1H-pyrazol-3-yl)- Specification

This chemical is called Benzenamine, 4-(1-methyl-1H-pyrazol-3-yl)-, and its systematic name is 4-(1-methyl-1H-pyrazol-3-yl)aniline. With the molecular formula of C₁₀H₁₁N₃, its molecular weight is 173.21. The CAS registry number of this chemical is 916766-82-0.

Other characteristics of the Benzenamine, 4-(1-methyl-1H-pyrazol-3-yl)- can be summarised as followings: (1)ACD/LogP: 0.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.86; (4)ACD/LogD (pH 7.4): 0.87; (5)ACD/BCF (pH 5.5): 2.65; (6)ACD/BCF (pH 7.4): 2.69; (7)ACD/KOC (pH 5.5): 69.74; (8)ACD/KOC (pH 7.4): 70.67; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 43.84 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: 155 °C; (20)Enthalpy of Vaporization: 57.55 kJ/mol; (21)Boiling Point: 332.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000143 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Cn1ccc(n1)c2ccc(N)cc
2.InChI: InChI=1/C10H11N3/c1-13-7-6-10(12-13)8-2-4-9(11)5-3-8/h2-7H,11H2,1H3
3.InChIKey: WEFJHPBVOKVCLZ-UHFFFAOYAM

Product Name

4-(1-methyl-1h-pyrazol-3-yl)aniline

Benzenamine, 4-(1-methyl-1H-pyrazol-3-yl)- Specification

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