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| CAS No.: | 119-94-8 |
|---|---|
| Name: | Ethylbenzyltoluidine |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C16H19N |
| Molecular Weight: | 225.334 |
| Synonyms: | m-Toluidine,N-benzyl-N-ethyl- (8CI);3-(N-Benzyl-N-ethylamino)methylbenzene;3-(N-Benzyl-N-ethylamino)toluene;N-Benzyl-N-ethyl-3-methylaniline;N-Benzyl-N-ethyl-m-toluidine;N-Ethyl-N-(m-tolyl)benzylamine;N-Ethyl-N-benzyl-m-toluidine;NSC 8089; |
| EINECS: | 204-359-6 |
| Density: | 1.02 g/cm3 |
| Melting Point: | 161-162ºC |
| Boiling Point: | 356.3 °C at 760 mmHg |
| Flash Point: | 144.8 °C |
| Appearance: | light yellow viscous liquid |
| Hazard Symbols: |
 T
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| Risk Codes: | 23/24/25 |
| Safety: | 23-26-36/37/39-45 |
| Transport Information: | UN 2753 6.1/PG 3 |
| PSA: | 3.24000 |
| LogP: | 4.02150 |
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Specification
This chemical is called Benzenemethanamine, N-ethyl-N-(3-methylphenyl)-, and its CAS registry number is 119-94-8. With the molecular formula of C16H19N, its molecular weight is 225.33. Additionally, its product categories are Intermediates of Dyes and Pigments; Amines; C11 to C38; Nitrogen Compounds.
Other characteristics of the Benzenemethanamine, N-ethyl-N-(3-methylphenyl)- can be summarised as followings: (1)ACD/LogP: 5.21; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.96; (4)ACD/LogD (pH 7.4): 5.21; (5)ACD/BCF (pH 5.5): 3014.72; (6)ACD/BCF (pH 7.4): 5317.19; (7)ACD/KOC (pH 5.5): 9136.72; (8)ACD/KOC (pH 7.4): 16114.8; (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: 1.589; (14)Molar Refractivity: 74.51 cm3; (15)Molar Volume: 220.9 cm3; (16)Polarizability: 29.53×10-24cm3; (17)Surface Tension: 40.9 dyne/cm; (18)Density: 1.02 g/cm3; (19)Flash Point: 144.8 °C; (20)Enthalpy of Vaporization: 60.16 kJ/mol; (21)Boiling Point: 356.3 °C at 760 mmHg; (22)Vapour Pressure: 2.94E-05 mmHg at 25°C.
Uses of this chemical: The Benzenemethanamine, N-ethyl-N-(3-methylphenyl)- could react with 1H-[1,2,4]triazol-3-ylamine, and obtain the benzyl-ethyl-[3-methyl-4-(4H-[1,2,4]triazol-3-ylazo)-phenyl]-amine. This reaction needs the reagents of NaNO2, CO2, isoamylnitrite, and the solvent of methanol. The yield is 100 %. In addition, this reaction should be taken for 3 hours at the temperature of 34-40 °C.
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You can still convert the following datas into molecular structure:
1.SMILES: N(c1cc(ccc1)C)(CC)Cc2ccccc2
2.InChI: InChI=1/C16H19N/c1-3-17(13-15-9-5-4-6-10-15)16-11-7-8-14(2)12-16/h4-12H,3,13H2,1-2H3
3.InChIKey: VIACAIAQHPLINF-UHFFFAOYAL