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Benzenemethanamine,N,N-diethyl-

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Name

Benzenemethanamine,N,N-diethyl-

EINECS 212-251-5
CAS No. 772-54-3 Density 0.911 g/cm3
PSA 3.24000 LogP 2.52840
Solubility N/A Melting Point N/A
Formula C11H17N Boiling Point 208.3 °C at 760 mmHg
Molecular Weight 163.263 Flash Point 72 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 34
Molecular Structure Molecular Structure of 772-54-3 (N-BENZYLDIETHYLAMINE) Hazard Symbols N/A
Synonyms

Benzylamine,N,N-diethyl- (6CI,7CI,8CI);Benzyldiethylamine;Diethylbenzylamine;N,N-Diethylbenzylamine;N-(Phenylmethyl)diethylamine;N-Benzyl-N,N-diethylamine;N-Benzyldiethylamine;NSC 128147;N-benzyl-N-ethylethanamine;benzenemethanamine, N,N-diethyl-;Benzylamine, N,N-diethyl-;benzyldiethylamine;benzyldiethylamine;N-Benzyl-N-ethylethanamine;

Article Data 119

Benzenemethanamine,N,N-diethyl- Specification

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

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