N-BENZYLDIETHYLAMINE

The Benzenemethanamine,N,N-diethyl-, with the CAS registry number 772-54-3, has the systematic name and IUPAC name of N-benzyl-N-ethylethanamine. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₁H₁₇N.

The characteristics of Benzenemethanamine,N,N-diethyl- are as followings: (1)ACD/LogP: 3.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.03; (4)ACD/LogD (pH 7.4): 0.79; (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): 5.98; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 3.24 Å²; (13)Index of Refraction: 1.508; (14)Molar Refractivity: 53.42 cm³; (15)Molar Volume: 179 cm³; (16)Polarizability: 21.17×10^-24cm³; (17)Surface Tension: 32.9 dyne/cm; (18)Density: 0.911 g/cm³; (19)Flash Point: 72 °C; (20)Enthalpy of Vaporization: 44.46 kJ/mol; (21)Boiling Point: 208.3 °C at 760 mmHg; (22)Vapour Pressure: 0.215 mmHg at 25°C. 

Preparation of Benzenemethanamine,N,N-diethyl-: This chemical can be prepared by benzaldehyde and diethylamine. The reaction will need reagent Bu₂SnClH and HMPA, and menstuum. The reaction time is 2 hours with temperature of -78°C, and the yield is about 3%. 

Uses of Benzenemethanamine,N,N-diethyl-: It can react with thiocarbonochloridic acid O-phenyl ester to produce diethyl-thiocarbamic acid O-phenyl ester. This reaction will need reagent CH₂Cl₂. The reaction time is 1 hour with the temperature of 20°C, and the yield is about 97%.

You should be cautious while dealing with this chemical. It may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: N(CC)(Cc1ccccc1)CC
(2)InChI: InChI=1/C11H17N/c1-3-12(4-2)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
(3)InChIKey: ZWRDBWDXRLPESY-UHFFFAOYAM