N-METHYL-3,4,5-TRIMETHOXYBENZYLAMINE

The CAS register number of Benzenemethanamine,3,4,5-trimethoxy-N-methyl- is 58780-82-8. It also can be called as N-Methyl-3,4,5-trimethoxybenzylamine and the systematic name about this chemical is N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine. The molecular formula about this chemical is C₁₁H₁₇NO₃ and the molecular weight is 211.26.

Physical properties about Benzenemethanamine,3,4,5-trimethoxy-N-methyl- are: (1)ACD/LogP: 0.96; (2)ACD/LogD (pH 5.5): -2; (3)ACD/LogD (pH 7.4): -0.65; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1.95; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 30.93 Å²; (12)Index of Refraction: 1.497; (13)Molar Refractivity: 59.43 cm³; (14)Molar Volume: 203 cm³; (15)Polarizability: 23.56x10^-24cm³; (16)Surface Tension: 31.6 dyne/cm; (17)Density: 1.04 g/cm³; (18)Flash Point: 119.1 °C; (19)Enthalpy of Vaporization: 52.93 kJ/mol; (20)Boiling Point: 289.9 °C at 760 mmHg; (21)Vapour Pressure: 0.00213 mmHg at 25 °C.

Preparation: this chemical can be prepared by 3,4,5-trimethoxy-benzaldehyde and methylamine. This reaction will need reagent of H₂ and solvents of methanol, H₂O. The reaction needs catalytic agent of Pt/C. The yield is about 90%.

Uses of Benzenemethanamine,3,4,5-trimethoxy-N-methyl-: it can be used to produce N6-methyl-N6-(3,4,5-trimethoxy-benzyl)-pteridine-2,4,6-triamine. The reaction time is 1 hour with reaction temperature of 168 - 169 °C. The yield is about 31%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. If you want to use it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. It is slightly hazardous to water and if no official permission, do not put materials into the permission surroundings. If you want to store it, you should keep the container tightly sealed in dry, cool places and avoid contact with oxide, acid.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1cc(cc(OC)c1OC)CNC)C
(2)InChI: InChI=1/C11H17NO3/c1-12-7-8-5-9(13-2)11(15-4)10(6-8)14-3/h5-6,12H,7H2,1-4H3
(3)InChIKey: LFULMNRPABTDDQ-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C11H17NO3/c1-12-7-8-5-9(13-2)11(15-4)10(6-8)14-3/h5-6,12H,7H2,1-4H3
(5)Std. InChIKey: LFULMNRPABTDDQ-UHFFFAOYSA-N