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| CAS No.: | 613-97-8 |
|---|---|
| Name: | N-ETHYL-N-METHYLANILINE |
| Molecular Structure: | |
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| Formula: | C9H13N |
| Molecular Weight: | 135.209 |
| Synonyms: | Aniline,N-ethyl-N-methyl- (6CI,7CI,8CI);Ethylmethylaniline;N-Ethyl-N-methylaniline;N-Ethyl-N-methylbenzenamine;N-Methyl-N-ethylaniline;NSC 3832; |
| EINECS: | 210-364-4 |
| Density: | 0.939 g/cm3 |
| Melting Point: | -6.87°C (estimate) |
| Boiling Point: | 204 °C at 760 mmHg |
| Flash Point: | 74.4 °C |
| Hazard Symbols: | T |
| Risk Codes: | 23/24/25 |
| Safety: | 26-36/37/39-45 |
| PSA: | 3.24000 |
| LogP: | 2.14270 |
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Specification
The Benzenamine,N-ethyl-N-methyl-, with CAS registry number 613-97-8, has the systematic name of N-ethyl-N-methylaniline. And its IUPAC name is the same one. And the chemical formula of this chemical is C9H13N. What's more, its EINECS is 210-364-4.
Physical properties of Benzenamine,N-ethyl-N-methyl-: (1)ACD/LogP: 2.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.27; (4)ACD/LogD (pH 7.4): 2.84; (5)ACD/BCF (pH 5.5): 22.65; (6)ACD/BCF (pH 7.4): 84.55; (7)ACD/KOC (pH 5.5): 221.12; (8)ACD/KOC (pH 7.4): 825.32; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.54; (14)Molar Refractivity: 45.19 cm3; (15)Molar Volume: 143.9 cm3; (16)Polarizability: 17.91×10-24cm3; (17)Surface Tension: 34.6 dyne/cm; (18)Density: 0.939 g/cm3; (19)Flash Point: 74.4 °C; (20)Enthalpy of Vaporization: 44.02 kJ/mol; (21)Boiling Point: 204 °C at 760 mmHg; (22)Vapour Pressure: 0.27 mmHg at 25°C.
Preparation: this chemical can be prepared by N-methyl-N-phenyl-acetamide. This reaction will need reagents lithium aluminium hydride, diethyl ether.
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Uses of Benzenamine,N-ethyl-N-methyl-: it can be used to produce N,N'-diethyl-N,N'-dimethyl-benzidine. This reaction will need reagents concentrated sulfuric acid, terpentine oil. The reaction temperature is 180 - 200 ℃.
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You can still convert the following datas into molecular structure:
(1)SMILES: N(c1ccccc1)(CC)C
(2)InChI: InChI=1/C9H13N/c1-3-10(2)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3
(3)InChIKey: PPHQUIPUBYPZLD-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C9H13N/c1-3-10(2)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3
(5)Std. InChIKey: PPHQUIPUBYPZLD-UHFFFAOYSA-N