Basic information
- Name:
N-(2-Acetoxyethyl)-N-ethylaniline
- CAS No.:
38954-40-4
- Molecular Structure:
- Formula:
- C12H17NO2
- Molecular Weight:
- 207.26888
- Synonyms:
- 2-(Ethylphenylamino)ethyl acetate;2-(ethyl-phenyl-amino)ethyl acetate;Ethanol, 2-(ethylphenylamino)-, acetate (ester);
- EINECS:
- 254-218-8
- Density:
- 1.052 g/cm3
- Boiling Point:
- 302.8 °C at 760 mmHg
- Flash Point:
- 112 °C
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Specification
This chemical is called N-(2-Acetoxyethyl)-N-ethylaniline, and it can also be named as Ethanol, 2-(ethylphenylamino)-, acetate (ester). With the molecular formula of C12H17NO2, its molecular weight is 207.26888. The CAS registry number of this chemical is 38954-40-4, and its EINECS number is 254-218-8. Additionally, the systematic name of this chemical is 2-[Ethyl(phenyl)amino]ethyl acetate.
Other characteristics of the N-(2-Acetoxyethyl)-N-ethylaniline can be summarised as followings: (1)ACD/LogP: 2.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.38; (4)ACD/LogD (pH 7.4): 2.81; (5)ACD/BCF (pH 5.5): 30.02; (6)ACD/BCF (pH 7.4): 80.04; (7)ACD/KOC (pH 5.5): 298.89; (8)ACD/KOC (pH 7.4): 796.74; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 60.87 cm3; (15)Molar Volume: 196.9 cm3; (16)Polarizability: 24.13×10-24 cm3; (17)Surface Tension: 39.3 dyne/cm; (18)Density: 1.052 g/cm3; (19)Flash Point: 112 °C; (20)Enthalpy of Vaporization: 54.31 kJ/mol; (21)Boiling Point: 302.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000966 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCCN(c1ccccc1)CC)C
2.InChI: InChI=1/C12H17NO2/c1-3-13(9-10-15-11(2)14)12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3
3.InChIKey: GPCCXIVDZANEJZ-UHFFFAOYAT