3-CHLORO-N-METHYLBENZYLAMINE

The 3-Chloro-N-methylbenzylamine with the CAS number 39191-07-6 is also called Benzenemethanamine,3-chloro-N-methyl-. Both the systematic name and IUPAC name are 1-(3-chlorophenyl)-N-methylmethanamine. Its molecular formula is C₈H₁₀ClN. The EINECS registry number is 254-343-8. This chemical belongs to the following product categories: (1)Polyamines; (2)Amines; (3)C8; (4)Nitrogen Compounds.

The properties of the 3-Chloro-N-methylbenzylamine are: (1)ACD/LogP: 2.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.91; (4)ACD/LogD (pH 7.4): 0.2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 4.12; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å²; (13)Index of Refraction: 1.531; (14)Molar Refractivity: 44.29 cm³; (15)Molar Volume: 143 cm³; (16)Polarizability: 17.55×10^-24cm³; (17)Surface Tension: 34.9 dyne/cm; (18)Enthalpy of Vaporization: 44.32 kJ/mol; (19)Vapour Pressure: 0.232 mmHg at 25°C.

Preparation: This chemical can be prepared by the reaction of 1-bromomethyl-3-chloro-benzene and methylamine. This reaction needs reagent ethanol at heating condition. The reaction time is 6.0 hours. The yield is 91%.

Uses: This chemical can react with Nitroguanyl-imido-dithiokohlensaeuredimethylester to prepare C₁₁H₁₄ClN₅O₂S. This reaction needs solvent ethanol at heating condition. The yield is 68.3%.

While using this chemical, you should be very cautious. This chemical is flammable and harmful if swallowed. It is irritating to skin and risk of serious damage to the eyes. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Finally you should keep this chemical away from sources of ignition.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(ccc1)CNC
(2)InChI: InChI=1/C8H10ClN/c1-10-6-7-3-2-4-8(9)5-7/h2-5,10H,6H2,1H3
(3)InChIKey: ZPNLAQVYPIAHTO-UHFFFAOYAV