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852180-72-4

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Basic Information
CAS No.: 852180-72-4
Name: N-METHYL-N-(3-PYRIDIN-3-YLBENZYL)AMINE
Molecular Structure:
Molecular Structure of 852180-72-4 (N-METHYL-N-(3-PYRIDIN-3-YLBENZYL)AMINE)
Formula: C13H14N2
Molecular Weight: 198.26
Synonyms: N-[3-(Pyridin-3-yl)benzyl]-N-methylamine;
Density: 1.045 g/cm3
Boiling Point: 328.5 °C at 760 mmHg
Flash Point: 152.5 °C
Hazard Symbols: CorrosiveC
Risk Codes: 22
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Specification

The Benzenemethanamine,N-methyl-3-(3-pyridinyl)-, with the CAS registry number 852180-72-4, is also known as N-Methyl-N-(3-pyridin-3-ylbenzyl)amine. This chemical's molecular formula is C13H14N2 and molecular weight is 198.26. What's more, its systematic name is called N-Methyl-1-(3-pyridin-3-ylphenyl)methanamine. When you are dealing with this chemical, you should be very careful. This chemical may destroy living tissue on contact. 

Physical properties about Benzenemethanamine,N-methyl-3-(3-pyridinyl)- are: (1) ACD/LogP: 1.96; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -1.11; (4) ACD/LogD (pH 7.4): 0.06; (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): 3.52; (9) #H bond acceptors: 2; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 3; (12) Polar Surface Area: 16.13 Å2; (13) Index of Refraction: 1.568; (14) Molar Refractivity: 62.08 cm3; (15) Molar Volume: 189.5 cm3; (16) Surface Tension: 40.8 dyne/cm; (17) Density: 1.045 g/cm3; (18) Flash Point: 152.5 °C; (19) Enthalpy of Vaporization: 57.09 kJ/mol; (20) Boiling Point: 328.5 °C at 760 mmHg; (21) Vapour Pressure: 0.000189 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: n2cccc(c1cc(ccc1)CNC)c2
(2) InChI: InChI=1/C13H14N2/c1-14-9-11-4-2-5-12(8-11)13-6-3-7-15-10-13/h2-8,10,14H,9H2,1H3
(3) InChIKey: LZJRRTLTBULOHU-UHFFFAOYAO