2-DIMETHYLAMINOMETHYL-ANILINE

The CAS register number of Benzenemethanamine,2-amino-N,N-dimethyl- is 1904-62-7. It also can be called as 2-Amino-N,N-dimethylbenzylamine and the systematic name about this chemical is 2-[(dimethylamino)methyl]aniline. The molecular formula about this chemical is C₉H₁₄N₂ and the molecular weight is 150.22. It belongs to the following product category which includes Amineprimary.

Physical properties about Benzenemethanamine,2-amino-N,N-dimethyl- are: (1)ACD/LogP: 0.35; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 2; (6)#H bond acceptors: 2; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 29.26 Å²; (10)Index of Refraction: 1.566; (11)Molar Refractivity: 48.392 cm³; (12)Molar Volume: 148.291 cm³; (13)Polarizability: 19.184x10^-24cm³; (14)Surface Tension: 40.971 dyne/cm; (15)Density: 1.013 g/cm³; (16)Flash Point: 85.882 °C; (17)Enthalpy of Vaporization: 46.875 kJ/mol; (18)Boiling Point: 232.072 °C at 760 mmHg; (19)Vapour Pressure: 0.06 mmHg at 25 °C.

Preparation: this chemical can be prepared by dimethyl-(4-nitro-benzyl)-amine. This reaction will need reagent of tin (II)-chloride.

Uses of Benzenemethanamine,2-amino-N,N-dimethyl-: it can be used to produce N-(6,11-dihydrodibenzo[b,e]thiepin-11-yl)-4-(dimethylaminomethyl)aniline with 11-chloro-6,11-dihydrodibenzo[b,e]thiepin. This reaction will need solvent of toluene. The reaction time is 21.25 days with ambient temperature. The yield is about 41%.

You can still convert the following datas into molecular structure:
(1)SMILES: Nc1ccccc1CN(C)C
(2)InChI: InChI=1/C9H14N2/c1-11(2)7-8-5-3-4-6-9(8)10/h3-6H,7,10H2,1-2H3
(3)InChIKey: XQWHZHODENELCJ-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C9H14N2/c1-11(2)7-8-5-3-4-6-9(8)10/h3-6H,7,10H2,1-2H3
(5)Std. InChIKey: XQWHZHODENELCJ-UHFFFAOYSA-N