2-METHOXY-N-METHYLBENZYLAMINE 97 (6851-80-5)

The IUPAC name of 2-Methoxy-N-methylbenzylamine is 1-(2-methoxyphenyl)-N-methylmethanamine. With the CAS registry number 6851-80-5, it is also named as Benzenemethanamine,2-methoxy-N-methyl-. The product's categories are amines, C9 to C10 and nitrogen compounds. Moreover, its molecular formula is C₉H₁₃NO and its molecular weight is 151.21. 

The other characteristics of 2-Methoxy-N-methylbenzylamine can be summarized as: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.63; (4)ACD/LogD (pH 7.4): -0.78; (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): 1; (9)H bond acceptors: 2; (10)H bond donors: 1; (11)Freely Rotating Bonds: 3; (12)Polar Surface Area: 12.47 Å²; (13)Index of Refraction: 1.506; (14)Molar Refractivity: 46.07 cm³; (15)Molar Volume: 155 cm³; (16)Polarizability: 18.26×10^-24cm³; (17)Surface Tension: 31.8 dyne/cm; (18)Density: 0.975 g/cm³; (19)Flash Point: 80.4 °C; (20)Enthalpy of Vaporization: 44.64 kJ/mol; (21)Boiling Point: 210.2 °C at 760 mmHg; (22)Vapour Pressure: 0.195 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: 2-Methoxy-N-methylbenzylamine is harmful if swallowed and risk of serious damage to the eyes. It is also irritating to respiratory system and skin. When you use it, please wear suitable protective clothing. Besides, in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES:O(c1ccccc1CNC)C
(2)InChI:InChI=1/C9H13NO/c1-10-7-8-5-3-4-6-9(8)11-2/h3-6,10H,7H2,1-2H3
(3)InChIKey:JCCQJCOMFAJJCQ-UHFFFAOYAY
(4)Std. InChI:InChI=1S/C9H13NO/c1-10-7-8-5-3-4-6-9(8)11-2/h3-6,10H,7H2,1-2H3
(5)Std. InChIKey:JCCQJCOMFAJJCQ-UHFFFAOYSA-N