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N-Benzyl-N-methylaniline

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Name

N-Benzyl-N-methylaniline

EINECS 210-375-4
CAS No. 614-30-2 Density 1.048 g/cm3
PSA 3.24000 LogP 3.32300
Solubility N/A Melting Point 8oC
Formula C14H15N Boiling Point 316.2 °C at 760 mmHg
Molecular Weight 197.28 Flash Point 128.8 °C
Transport Information 200kgs Appearance Clear yellow to amber liquid
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 614-30-2 (N-METHYL-N-BENZYLANILINE) Hazard Symbols IrritantXi
Synonyms

Benzylamine,N-methyl-N-phenyl- (6CI,7CI,8CI);N-Benzyl-N-methyl-N-phenylamine;N-Benzyl-N-methylaniline;N-Benzyl-N-methylphenylamine;N-Methyl-N-benzylaniline;N-Methyl-N-phenylbenzylamine;NSC 97;

Article Data 216

N-Benzyl-N-methylaniline Specification

The N-Benzyl-N-methylaniline, with the CAS registry number 614-30-2 and EINECS registry number 210-375-4, is also called benzenemethanamine, N-methyl-N-phenyl-. It belongs to the product category of Intermediates of Dyes and Pigments. And the molecular formula of the chemical is C14H15N.

The characteristics of this chemical are as followings: (1)ACD/LogP: 4.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.19; (4)ACD/LogD (pH 7.4): 4.22; (5)ACD/BCF (pH 5.5): 880.66; (6)ACD/BCF (pH 7.4): 946.33; (7)ACD/KOC (pH 5.5): 4370.17; (8)ACD/KOC (pH 7.4): 4696.08; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.608; (14)Molar Refractivity: 65.05 cm3; (15)Molar Volume: 188.1 cm3; (16)Polarizability: 25.78×10-24cm3; (17)Surface Tension: 42.8 dyne/cm; (18)Density: 1.048 g/cm3; (19)Flash Point: 128.8 °C; (20)Enthalpy of Vaporization: 55.75 kJ/mol; (21)Boiling Point: 316.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000416 mmHg at 25°C.

Preparation of N-Benzyl-N-methylaniline: This chemical can be prepared by benzoic acid and N-methyl-aniline. The reaction will need reagent trimethylamine-borane, and the menstruum xylene. The reaction time is 7 hours with heating, and the yield is about 90%. 

Uses of N-Benzyl-N-methylaniline: It can be used to produce N-benzyl-N-methyl-aniline-N-oxide. This reaction will need reagent H2O2, AcOH, and H2O. The reaction time is 3 days, and the yield is about 92%.   

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, 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(c1ccccc1)(Cc2ccccc2)C
(2)InChI: InChI=1/C14H15N/c1-15(14-10-6-3-7-11-14)12-13-8-4-2-5-9-13/h2-11H,12H2,1H3
(3)InChIKey: LXZGVFCKZRHKMU-UHFFFAOYAT 

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