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436088-80-1

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Basic Information
CAS No.: 436088-80-1
Name: (3,4-DIMETHOXY-PHENYL)-FURAN-2-YLMETHYL-AMINE
Article Data: 1
Molecular Structure:
Molecular Structure of 436088-80-1 ((3,4-DIMETHOXY-PHENYL)-FURAN-2-YLMETHYL-AMINE)
Formula: C13H15NO3
Molecular Weight: 233.26
Synonyms: (3,4-DIMETHOXY-PHENYL)-FURAN-2-YLMETHYL-AMINE
Density: 1.164 g/cm3
Boiling Point: 353.6 °C at 760 mmHg
Flash Point: 167.6 °C
Hazard Symbols: IrritantXi
PSA: 43.63000
LogP: 2.98190
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Specification

The 2-Furanmethanamine, N-(3, 4-dimethoxyphenyl)-, with the CAS registry number of 436088-80-1, is also known as N-(2-Furylmethyl)-3, 4-dimethoxyaniline. This chemical's molecular formula is C13H15NO3 and molecular weight is 233.26. What's more, its IUPAC name is N-(Furan-2-ylmethyl)-3,4-dimethoxyaniline. Besides, this chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about 2-Furanmethanamine, N-(3, 4-dimethoxyphenyl)- are: (1)ACD/LogP: 1.73; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 34.84 Å2; (7)Index of Refraction: 1.572; (8)Molar Refractivity: 66 cm3; (9)Molar Volume: 200.3 cm3; (10)Surface Tension: 40.5 dyne/cm; (11)Density: 1.164 g/cm3; (12)Flash Point: 167.6 °C; (13)Enthalpy of Vaporization: 59.85 kJ/mol; (14)Boiling Point: 353.6 °C at 760 mmHg; (15)Vapour Pressure: 3.55E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O(c1ccc(cc1OC)NCc2occc2)C
(2) InChI: InChI=1/C13H15NO3/c1-15-12-6-5-10(8-13(12)16-2)14-9-11-4-3-7-17-11/h3-8,14H,9H2,1-2H3
(3) InChIKey: UZZVBYZSDQDKBX-UHFFFAOYAM