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418777-28-3

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Basic Information
CAS No.: 418777-28-3
Name: (2,4-Dimethoxy-benzyl)-pyridin-3-ylmethyl-amine
Molecular Structure:
Molecular Structure of 418777-28-3 ((2,4-Dimethoxy-benzyl)-pyridin-3-ylmethyl-amine)
Formula: C15H18N2O2
Molecular Weight: 258.32
Synonyms: N-[(2,4-Dimethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine;1-(2,4-Dimethoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine;
Density: 1.108 g/cm3
Boiling Point: 400.2 °C at 760 mmHg
Flash Point: 195.9 °C
Hazard Symbols: IrritantXi
PSA: 43.38000
LogP: 2.77950
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Specification

The (2,4-Dimethoxy-benzyl)-pyridin-3-ylmethyl-amine has CAS registry number 418777-28-3. This chemical's molecular formula is C15H18N2O2 and molecular weight is 258.32. What's more, its IUPAC name is N-[(2,4-Dimethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine. In addition, this chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about (2,4-Dimethoxy-benzyl)-pyridin-3-ylmethyl-amine are: (1)ACD/LogP: 1.64; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 34.59 Å2; (7)Index of Refraction: 1.559; (8)Molar Refractivity: 75.33 cm3; (9)Molar Volume: 232.9 cm3; (10)Polarizability: 29.86×10-24 cm3; (11)Surface Tension: 41.5 dyne/cm; (12)Density: 1.108 g/cm3; (13)Flash Point: 195.9 °C; (14)Enthalpy of Vaporization: 65.11 kJ/mol; (15)Boiling Point: 400.2 °C at 760 mmHg; (16)Vapour Pressure: 1.29E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O(c1ccc(c(OC)c1)CNCc2cccnc2)C
(2) InChI: InChI=1/C15H18N2O2/c1-18-14-6-5-13(15(8-14)19-2)11-17-10-12-4-3-7-16-9-12/h3-9,17H,10-11H2,1-2H3
(3) InChIKey: QIKNGLMDKSZFGQ-UHFFFAOYAA