CAS No.77775-71-4,(3,5-Dimethoxybenzyl)methylamine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	77775-71-4
Name:	(3,5-Dimethoxybenzyl)methylamine

Formula:	C₁₀H₁₅NO₂
Molecular Weight:	181.235
Synonyms:	(3,5-Dimethoxybenzyl)methylamine;N-Methyl-3,5-dimethoxybenzylamine;
Density:	1.012 g/cm³
Boiling Point:	272.741 °C at 760 mmHg
Flash Point:	108.61 °C
PSA:	30.49000
LogP:	1.81410

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Specification

The (3,5-Dimethoxybenzyl)methylamine, with the CAS registry number 77775-71-4, has the systematic name of 1-(3,5-dimethoxyphenyl)-N-methylmethanamine. And it is also called Benzenemethanamine, 3,5-dimethoxy-N-methyl-. The molecular formula of the chemical is C₁₀H₁₅NO₂.

The characteristics of (3,5-Dimethoxybenzyl)methylamine are as followings: (1)ACD/LogP: 1.34; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 30.49 Å²; (11)Index of Refraction: 1.501; (12)Molar Refractivity: 52.754 cm³; (13)Molar Volume: 179.071 cm³; (14)Polarizability: 20.913×10^-24cm³; (15)Surface Tension: 31.779 dyne/cm; (16)Density: 1.012 g/cm³; (17)Flash Point: 108.61 °C; (18)Enthalpy of Vaporization: 51.104 kJ/mol; (19)Boiling Point: 272.741 °C at 760 mmHg; (20)Vapour Pressure: 0.006 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: COc1cc(cc(OC)c1)CNC
(2)InChI: InChI=1/C10H15NO2/c1-11-7-8-4-9(12-2)6-10(5-8)13-3/h4-6,11H,7H2,1-3H3
(3)InChIKey: AZLYFFWKOFXIRJ-UHFFFAOYAD