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915707-40-3

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Basic Information
CAS No.: 915707-40-3
Name: 4-(1-Methyl-1H-pyrazol-3-yl)benzylamine
Molecular Structure:
Molecular Structure of 915707-40-3 (4-(1-Methyl-1H-pyrazol-3-yl)benzylamine)
Formula: C11H13N3
Molecular Weight: 187.244
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
Density: 1.14 g/cm3
Boiling Point: 346.6 °C at 760 mmHg
Flash Point: 163.4 °C
Hazard Symbols: C,Xi
Risk Codes: 41
Safety: 26-39
PSA: 43.84000
LogP: 2.24610
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    4-(1-METHYL-1H-PYRAZOL-3-YL)BENZYLAMINEAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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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