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Basic Information
CAS No.: 164119-81-7
Name: 4-METHYLGRAMINE
Molecular Structure:
Molecular Structure of 164119-81-7 (4-METHYLGRAMINE)
Formula: C12H16N2
Molecular Weight: 188.272
Synonyms: Indole,3-(dimethylaminomethyl)-4-methyl- (5CI);
Density: 1.077 g/cm3
Boiling Point: 310.7 °C at 760 mmHg
Flash Point: 141.7 °C
PSA: 19.03000
LogP: 2.53790
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Specification

The 1H-Indole-3-methanamine,N,N,4-trimethyl- is an organic compound with the formula C12H16N2. The systematic name of this chemical is N,N-Dimethyl-1-(4-methyl-1H-indol-3-yl)methanamine. With the CAS registry number 164119-81-7, it is also named as 4-Methylgramine. Besides, its molecular weight is 188.27.

Physical properties about 1H-Indole-3-methanamine,N,N,4-trimethyl- are: (1)ACD/LogP: 2.36; (2)ACD/LogD (pH 5.5): -0.62; (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): 8.96; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 8.17 Å2; (12)Index of Refraction: 1.618; (13)Molar Refractivity: 61.25 cm3; (14)Molar Volume: 174.7 cm3; (15)Polarizability: 24.28×10-24 cm3; (16)Surface Tension: 44.1 dyne/cm; (17)Density: 1.077 g/cm3; (18)Flash Point: 141.7 °C; (19)Enthalpy of Vaporization: 55.16 kJ/mol; (20)Boiling Point: 310.7 °C at 760 mmHg; (21)Vapour Pressure: 0.00059 mmHg at 25 °C.

Preparation: this chemical can be prepared by Dimethyl-(4-methyl-1-triisopropylsilanyl-1H-indol-3-ylmethyl)-amine. This reaction will need reagent Bu4N(+)F(-) and solvent tetrahydrofuran. The reaction temperature is 25 °C. The yield is about 95%.

Uses of 1H-Indole-3-methanamine,N,N,4-trimethyl-: it can be used to produce 2-Formylamino-2-(4-methyl-1H-indol-3-ylmethyl)-malonic acid diethyl ester. It will need reagent sodium hydroxide and solvent toluene. The yield is about 83%.

 You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C12H16N2/c1-9-5-4-6-11-12(9)10(7-13-11)8-14(2)3/h4-7,13H,8H2,1-3H3
(2)InChIKey: GEZUIRKWLKMHQN-UHFFFAOYAE
(3)Std. InChI: InChI=1S/C12H16N2/c1-9-5-4-6-11-12(9)10(7-13-11)8-14(2)3/h4-7,13H,8H2,1-3H3
(4)Std. InChIKey: GEZUIRKWLKMHQN-UHFFFAOYSA-N