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

Name
n-methyl-4-(1-methyl-1h-pyrazol-3-yl)benzylamine
EINECS
CAS No. 179873-47-3
Density 1.07 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₅N₃
Boiling Point 332.9 °C at 760 mmHg
Molecular Weight 201.27
Flash Point 155.2 °C
Transport Information
Appearance
Safety
Risk Codes C:Corrosive;
Molecular Structure
Hazard Symbols C
Synonyms n-methyl-4-(1-methyl-1h-pyrazol-3-yl)benzylamine
PSA 29.85000
LogP 2.19740

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

This chemical is called Benzenemethanamine,N-methyl-4-(1-methyl-1H-pyrazol-3-yl)-, and its systematic name is N-methyl-1-[4-(1-methylpyrazol-3-yl)phenyl]methanamine. With the molecular formula of C₁₂H₁₅N₃, its molecular weight is 201.27. The CAS registry number of the chemical is 179873-47-3.

Other characteristics of Benzenemethanamine,N-methyl-4-(1-methyl-1H-pyrazol-3-yl)- can be summarised as followings: (1)ACD/LogP: 1.23; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 29.85 Å²; (7)Index of Refraction: 1.581; (8)Molar Refractivity: 62.44 cm³; (9)Molar Volume: 187.2 cm³; (10)Polarizability: 24.75×10^-24cm³; (11)Surface Tension: 38.6 dyne/cm; (12)Density: 1.07 g/cm³; (13)Flash Point: 155.2 °C; (14)Enthalpy of Vaporization: 57.58 kJ/mol; (15)Boiling Point: 332.9 °C at 760 mmHg; (16)Vapour Pressure: 0.000141 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: CNCc1ccc(cc1)c2ccn(n2)C
2.InChI: InChI=1/C12H15N3/c1-13-9-10-3-5-11(6-4-10)12-7-8-15(2)14-12/h3-8,13H,9H2,1-2H3
3.InChIKey: BBOCGPKUAXCMLG-UHFFFAOYAG
4.Std. InChI: InChI=1S/C12H15N3/c1-13-9-10-3-5-11(6-4-10)12-7-8-15(2)14-12/h3-8,13H,9H2,1-2H3
5.Std. InChIKey: BBOCGPKUAXCMLG-UHFFFAOYSA-N

Product Name

n-methyl-4-(1-methyl-1h-pyrazol-3-yl)benzylamine

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

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