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CAS No.: | 37125-92-1 |
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Name: | 2-METHYL-3-N,N-DIMETHYLAMINOMETHYLINDOLE |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C12H16N2 |
Molecular Weight: | 188.272 |
Synonyms: | Indole,3-[(dimethylamino)methyl]-2-methyl- (6CI,7CI);2-Methylgramine;3-[(Dimethylamino)methyl]-2-methylindole;NSC 24942;2-METHYL-3-N,N-DIMETHYLAMINOMETHYLINDOLE; |
Density: | 1.077 g/cm3 |
Melting Point: | 120-121 °C(Solv: acetone (67-64-1); ethanol (64-17-5)) |
Boiling Point: | 309.6 °C at 760 mmHg |
Flash Point: | 141.1 °C |
PSA: | 19.03000 |
LogP: | 2.53790 |
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The 2-Methylgramine, with the CAS registry number 37125-92-1, has the systematic name of N,N-dimethyl-1-(2-methyl-1H-indol-3-yl methanamine and it is also called 2-MethyL Gramine. The molecular formula of the chemical is C12H16N2.
The characteristics of this chemical are as followings: (1)ACD/LogP: 2.36; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 8.17 Å2; (7)Index of Refraction: 1.618; (8)Molar Refractivity: 61.25 cm3; (9)Molar Volume: 174.7 cm3; (10)Polarizability: 24.28×10-24cm3; (11)Surface Tension: 44.1 dyne/cm; (12)Density: 1.077 g/cm3; (13)Flash Point: 141.1 °C; (14)Enthalpy of Vaporization: 55.04 kJ/mol; (15)Boiling Point: 309.6 °C at 760 mmHg; (16)Vapour Pressure: 0.000631 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1cccc2c1c(c(n2)C)CN(C)C
(2)InChI: InChI=1/C12H16N2/c1-9-11(8-14(2)3)10-6-4-5-7-12(10)13-9/h4-7,13H,8H2,1-3H3
(3)InChIKey: AJNMXMZCRHTBEH-UHFFFAOYAY