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

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Name

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

EINECS N/A
CAS No. 915707-40-3 Density 1.14 g/cm3
PSA 43.84000 LogP 2.24610
Solubility N/A Melting Point N/A
Formula C11H13N3 Boiling Point 346.6 °C at 760 mmHg
Molecular Weight 187.244 Flash Point 163.4 °C
Transport Information N/A Appearance N/A
Safety 26-39 Risk Codes 41
Molecular Structure Molecular Structure of 915707-40-3 (4-(1-Methyl-1H-pyrazol-3-yl)benzylamine) Hazard Symbols C,Xi
Synonyms

4-(1-Methyl-1H-pyrazol-3-yl)benzylamine;4-(1-Methyl-1H-pyrazol-3-yl)benzylamine 97%;[4-(1-Methyl-1H-pyrazol-3-yl)phenyl]methylamine 97%;3-[4-(Aminomethyl)phenyl]-1-methyl-1H-pyrazole, 4-(1-Methyl-1H-pyrazol-3-yl)benzylamine;[4-(1-Methyl-1h-pyrazol-3-yl)phenyl]MethylaMine

 

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

This chemical is called Benzenemethanamine, 4-(1-methyl-1H-pyrazol-3-yl)-, and its systematic name is [4-(1-methylpyrazol-3-yl)phenyl]methanamine. With the molecular formula of C11H13N3, its molecular weight is 187.24. The CAS registry number of this chemical is 915707-40-3.

Other characteristics of the Benzenemethanamine, 4-(1-methyl-1H-pyrazol-3-yl)- can be summarised as followings: (1)ACD/LogP: 0.80; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 43.84 Å2; (7)Index of Refraction: 1.61; (8)Molar Refractivity: 56.87 cm3; (9)Molar Volume: 164 cm3; (10)Polarizability: 22.54×10-24cm3; (11)Surface Tension: 44.2 dyne/cm; (12)Density: 1.14 g/cm3; (13)Flash Point: 163.4 °C; (14)Enthalpy of Vaporization: 59.08 kJ/mol; (15)Boiling Point: 346.6 °C at 760 mmHg; (16)Vapour Pressure: 5.68E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: Cn1ccc(n1)c2ccc(cc2)CN
2.InChI: InChI=1/C11H13N3/c1-14-7-6-11(13-14)10-4-2-9(8-12)3-5-10/h2-7H,8,12H2,1H3
3.InChIKey: ABWRSDPFKICMIH-UHFFFAOYAD

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