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CAS No.: | 418777-28-3 |
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Name: | (2,4-Dimethoxy-benzyl)-pyridin-3-ylmethyl-amine |
Molecular Structure: | |
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: | Xi |
PSA: | 43.38000 |
LogP: | 2.77950 |
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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