Benzenamine, 2-(3,5-dimethyl-1H-pyrazol-1-yl)- supplier

Name
[2-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)PHENYL]AMINE
EINECS
CAS No. 60418-47-5
Article Data11
CAS DataBase
Density 1.148 g/cm³
Solubility
Melting Point 92-94℃
Formula C₁₁H₁₃N₃
Boiling Point 332.678 °C at 760 mmHg
Molecular Weight 187.244
Flash Point 154.999 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 2-(3,5-Dimethyl-pyrazol-1-yl)-phenylamine;
PSA 43.84000
LogP 2.65250

Benzenamine, 2-(3,5-dimethyl-1H-pyrazol-1-yl)- Specification

The Benzenamine, 2-(3,5-dimethyl-1H-pyrazol-1-yl)-, with the CAS registry number 60418-47-5, is also known as 2-(3,5-Dimethyl-pyrazol-1-yl)-phenylamine. This chemical's molecular formula is C₁₁H₁₃N₃ and molecular weight is 187.24102. What's more, its systematic name is 2-(3,5-Dimethyl-1H-pyrazol-1-yl)aniline.

Physical properties about Benzenamine, 2-(3,5-dimethyl-1H-pyrazol-1-yl)- are: (1)ACD/LogP: 1.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 13; (6)ACD/BCF (pH 7.4): 13; (7)ACD/KOC (pH 5.5): 213; (8)ACD/KOC (pH 7.4): 214; (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: 1.612; (14)Molar Refractivity: 56.694 cm³; (15)Molar Volume: 163.16 cm³; (16)Polarizability: 22.475×10^-24cm³; (17)Surface Tension: 42.045 dyne/cm; (18)Density: 1.148 g/cm³; (19)Flash Point: 154.999 °C; (20)Enthalpy of Vaporization: 57.547 kJ/mol; (21)Boiling Point: 332.678 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Nc1ccccc1n2nc(C)cc2C
(2)InChI: InChI=1/C11H13N3/c1-8-7-9(2)14(13-8)11-6-4-3-5-10(11)12/h3-7H,12H2,1-2H3
(3)InChIKey: WPGFYAUWKUKJFK-UHFFFAOYAF

Product Name

[2-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)PHENYL]AMINE

Benzenamine, 2-(3,5-dimethyl-1H-pyrazol-1-yl)- Specification

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