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Benzenemethanamine,3,4,5-trimethoxy-N-methyl-

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Name

Benzenemethanamine,3,4,5-trimethoxy-N-methyl-

EINECS N/A
CAS No. 58780-82-8 Density 1.04 g/cm3
PSA 39.72000 LogP 1.82270
Solubility N/A Melting Point N/A
Formula C11H17NO3 Boiling Point 289.9 °C at 760 mmHg
Molecular Weight 211.261 Flash Point 119.1 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 58780-82-8 (N-METHYL-3,4,5-TRIMETHOXYBENZYLAMINE) Hazard Symbols N/A
Synonyms

Benzylamine,3,4,5-trimethoxy-N-methyl- (6CI);N-Methyl-3,4,5-trimethoxybenzylamine;N-Methyl-N-[(3,4,5-trimethoxyphenyl)methyl]amine;

Article Data 5

Benzenemethanamine,3,4,5-trimethoxy-N-methyl- Specification

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%.

Benzenemethanamine,3,4,5-trimethoxy-N-methyl- can be prepared by 3,4,5-trimethoxy-benzaldehyde and methylamine.

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%.

Benzenemethanamine,3,4,5-trimethoxy-N-methyl- can be used to produce N6-methyl-N6-(3,4,5-trimethoxy-benzyl)-pteridine-2,4,6-triamine.

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

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