CAS No.37125-92-1,2-METHYL-3-N,N-DIMETHYLAMINOMETHYLINDOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	37125-92-1
Name:	2-METHYL-3-N,N-DIMETHYLAMINOMETHYLINDOLE
Article Data:	16

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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Specification

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