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| CAS No.: | 91-73-6 |
|---|---|
| Name: | N,N-DIBENZYLANILINE |
| Article Data: | 121 |
| Molecular Structure: | |
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| Formula: | C20H19N |
| Molecular Weight: | 273.378 |
| Synonyms: | Dibenzylamine,N-phenyl- (6CI,7CI,8CI);Benzenamine, N,N-bis(phenylmethyl)-;Dibenzylaniline;N,N-Dibenzylaniline;N-Phenyldibenzylamine;NSC 6243;Aniline, N,N-dibenzyl-;Benzenemethanamine, N-phenyl-N- (phenylmethyl)-;N,N-dibenzyl-N-phenylamine;N-Phenyldibenzylamine;Dibenzylamine, N-phenyl-; |
| EINECS: | 202-093-5 |
| Density: | 1.098 g/cm3 |
| Melting Point: | 70 °C |
| Boiling Point: | 432.8 °C at 760 mmHg |
| Flash Point: | 174 °C |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 3.24000 |
| LogP: | 4.89340 |
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- Total:35 Page 1 of 1 1
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Specification
The Benzenemethanamine,N-phenyl-N-(phenylmethyl)-, with the CAS registry number 91-73-6 and EINECS registry number 202-093-5, has the systematic name and IUPAC name of N,N-dibenzylaniline. And the molecular formula of the chemical is C20H19N.
The characteristics of Benzenemethanamine,N-phenyl-N-(phenylmethyl)- are as followings: (1)ACD/LogP: 6.06; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.06; (4)ACD/LogD (pH 7.4): 6.06; (5)ACD/BCF (pH 5.5): 23526.91; (6)ACD/BCF (pH 7.4): 23861.56; (7)ACD/KOC (pH 5.5): 46664.42; (8)ACD/KOC (pH 7.4): 47328.19; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.639; (14)Molar Refractivity: 89.54 cm3; (15)Molar Volume: 248.8 cm3; (16)Polarizability: 35.49×10-24cm3; (17)Surface Tension: 47.6 dyne/cm; (18)Density: 1.098 g/cm3; (19)Flash Point: 174 °C; (20)Enthalpy of Vaporization: 68.86 kJ/mol; (21)Boiling Point: 432.8 °C at 760 mmHg; (22)Vapour Pressure: 1.08E-07 mmHg at 25°C.
Preparation of Benzenemethanamine,N-phenyl-N-(phenylmethyl)-: This chemical can be prepared by aniline and benzoic acid. The reaction will need reagent trimethylamine-borane, and the menstruum xylene. The reaction time is 7 hours with heating, and the yield is about 66%.
Uses of Benzenemethanamine,N-phenyl-N-(phenylmethyl)-: It can react with ethenetetracarbonitrile to produce (4-dibenzylamino-phenyl)-ethenetricarbonitrile. This reaction will need reagent 1,2-dichloro-ethane. The reaction time is 48 hours with ambient temperature, and the yield is about 86%.
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, 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: c1(ccccc1)CN(c2ccccc2)Cc3ccccc3
(2)InChI: InChI=1/C20H19N/c1-4-10-18(11-5-1)16-21(20-14-8-3-9-15-20)17-19-12-6-2-7-13-19/h1-15H,16-17H2
(3)InChIKey: ISGXOWLMGOPVPB-UHFFFAOYAN