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| CAS No.: | 614-30-2 |
|---|---|
| Name: | N-METHYL-N-BENZYLANILINE |
| Article Data: | 216 |
| Molecular Structure: | |
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|
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| Formula: | C14H15N |
| Molecular Weight: | 197.28 |
| 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; |
| EINECS: | 210-375-4 |
| Density: | 1.048 g/cm3 |
| Melting Point: | 8oC |
| Boiling Point: | 316.2 °C at 760 mmHg |
| Flash Point: | 128.8 °C |
| Appearance: | Clear yellow to amber liquid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| Transport Information: | 200kgs |
| PSA: | 3.24000 |
| LogP: | 3.32300 |
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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