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449758-13-8

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Basic Information
CAS No.: 449758-13-8
Name: 2-(1H-Pyrazol-1-yl)benzylamine
Article Data: 3
Molecular Structure:
Molecular Structure of 449758-13-8 (2-(1H-Pyrazol-1-yl)benzylamine)
Formula: C10H11N3
Molecular Weight: 173.217
Synonyms: CHEMBRDG-BB 4003291;ART-CHEM-BB B022094;2-(1H-PYRAZOL-1-YL)BENZYLAMINE;(2-(1H-PYRAZOL-1-YL)PHENYL)METHANAMINE;AKOS B022094;2-(1H-Pyrazol-1-yl)benzylamine 97%;1-[2-(1H-pyrazol-1-yl)phenyl]methanamine(SALTDATA: HCl);[2-(1H-Pyrazol-1-yl)phenyl]methylamine
Density: 1.16 g/cm3
Boiling Point: 320.3 °C at 760 mmHg
Flash Point: 147.5 °C
Hazard Symbols: CorrosiveC
PSA: 43.84000
LogP: 2.03130
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Specification

This chemical is called 2-(1H-Pyrazol-1-yl)benzylamine, and its systematic name is 1-[2-(1H-pyrazol-1-yl)phenyl]methanamine. With the molecular formula of C10H11N3, its molecular weight is 173.21. The CAS registry number of this chemical is 449758-13-8. 

Other characteristics of the 2-(1H-Pyrazol-1-yl)benzylamine can be summarised as followings: (1)ACD/LogP: 0.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.98; (4)ACD/LogD (pH 7.4): -0.67; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1.82; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 21.06 Å2; (13)Index of Refraction: 1.622; (14)Molar Refractivity: 52.45 cm3; (15)Molar Volume: 148.7 cm3; (16)Polarizability: 20.79×10-24cm3; (17)Surface Tension: 48.1 dyne/cm; (18)Density: 1.16 g/cm3; (19)Flash Point: 147.5 °C; (20)Enthalpy of Vaporization: 56.19 kJ/mol; (21)Boiling Point: 320.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000322 mmHg at 25°C. 

You can still convert the following datas into molecular structure:
1.SMILES: n1cccn1c2c(cccc2)CN
2.InChI: InChI=1/C10H11N3/c11-8-9-4-1-2-5-10(9)13-7-3-6-12-13/h1-7H,8,11H2
3.InChIKey: SJMJUZRSTJBVPG-UHFFFAOYAQ