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| CAS No.: | 613-48-9 |
|---|---|
| Name: | N,N-DIETHYL-P-TOLUIDINE |
| Article Data: | 52 |
| Molecular Structure: | |
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|
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| Formula: | C11H17N |
| Molecular Weight: | 163.263 |
| Synonyms: | p-Toluidine,N,N-diethyl- (6CI,7CI,8CI);4-(Diethylamino)toluene;4-Methyl-N,N-diethylaniline;N,N-Diethyl-4-methylaniline;N,N-Diethyl-p-methylaniline;N,N-Diethyl-p-toluidine;NSC 8709;p-Methyl-N,N-diethylaniline; |
| EINECS: | 210-345-0 |
| Density: | 0.923 g/cm3 |
| Melting Point: | 46.25°C (estimate) |
| Boiling Point: | 250 °C at 760 mmHg |
| Flash Point: | 101.1 °C |
| Solubility: | Practically insoluble in water |
| Appearance: | colorless liquid |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 36/38-20 |
| Safety: | 24/25 |
| PSA: | 3.24000 |
| LogP: | 2.84120 |
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Specification
The Benzenamine,N,N-diethyl-4-methyl-, with CAS registry number 613-48-9, has the systematic name of N,N-diethyl-4-methylaniline. This chemical is a kind of clear light yellow to amber liquid. And the chemical formula of this chemical is C11H17N. What's more, its EINECS is 210-345-0.
Physical properties of Benzenamine,N,N-diethyl-4-methyl-: (1)ACD/LogP: 3.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.2; (4)ACD/LogD (pH 7.4): 3.64; (5)ACD/BCF (pH 5.5): 11.16; (6)ACD/BCF (pH 7.4): 304.01; (7)ACD/KOC (pH 5.5): 66.55; (8)ACD/KOC (pH 7.4): 1812.34; (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: 1.53; (14)Molar Refractivity: 54.65 cm3; (15)Molar Volume: 176.7 cm3; (16)Polarizability: 21.66×10-24cm3; (17)Surface Tension: 33.9 dyne/cm; (18)Density: 0.923 g/cm3; (19)Flash Point: 101.1 °C; (20)Enthalpy of Vaporization: 48.73 kJ/mol; (21)Boiling Point: 250 °C at 760 mmHg; (22)Vapour Pressure: 0.0222 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Benzenamine,N,N-diethyl-4-methyl- is harmful by inhalation. And this chemical irritates to eyes and skin. When use this chemical, avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: N(c1ccc(cc1)C)(CC)CC
(2)InChI: InChI=1/C11H17N/c1-4-12(5-2)11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3
(3)InChIKey: HKJNHYJTVPWVGV-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C11H17N/c1-4-12(5-2)11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3
(5)Std. InChIKey: HKJNHYJTVPWVGV-UHFFFAOYSA-N