Diethyl 2-(acetamido)-2-(2-(4-octylphenyl)ethyl)propanedioate supplier

Name
diethyl 2-acetamido-2-(4-octylphenethyl)malonate
EINECS 800-060-5
CAS No. 162358-08-9
Article Data16
CAS DataBase
Density 1.043 g/cm³
Solubility
Melting Point 57-58 °C
Formula C₂₅H₃₉NO₅
Boiling Point 570.727 °C at 760 mmHg
Molecular Weight 433.588
Flash Point 298.965 °C
Transport Information
Appearance White Solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Diethyl acetamido[2-(4-octylphenyl)ethyl]malonate;Propanedioic acid, (acetylamino)[2-(4-octylphenyl)ethyl]-, diethyl ester;
PSA 81.70000
LogP 4.91420

Diethyl 2-(acetamido)-2-(2-(4-octylphenyl)ethyl)propanedioate Specification

The Diethyl 2-(acetamido)-2-(2-(4-octylphenyl)ethyl)propanedioate, with the CAS registry number 162358-08-9, is also known as Propanedioic acid, (acetylamino)[2-(4-octylphenyl)ethyl]-, diethyl ester. It belongs to the product category of Aromatics. This chemical's molecular formula is C₂₅H₃₉NO₅ and molecular weight is 433.58. What's more, its systematic name is Diethyl acetamido[2-(4-octylphenyl)ethyl]malonate.

Physical properties of Diethyl 2-(acetamido)-2-(2-(4-octylphenyl)ethyl)propanedioate are: (1)ACD/LogP: 7.259; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.26; (4)ACD/LogD (pH 7.4): 7.26; (5)ACD/BCF (pH 5.5): 193553.40; (6)ACD/BCF (pH 7.4): 193550.20; (7)ACD/KOC (pH 5.5): 211771.80; (8)ACD/KOC (pH 7.4): 211768.30; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 17; (12)Polar Surface Area: 81.7 Å²; (13)Index of Refraction: 1.499; (14)Molar Refractivity: 121.984 cm³; (15)Molar Volume: 415.617 cm³; (16)Polarizability: 48.358×10^-24cm³; (17)Surface Tension: 38.43 dyne/cm; (18)Density: 1.043 g/cm³; (19)Flash Point: 298.965 °C; (20)Enthalpy of Vaporization: 85.595 kJ/mol; (21)Boiling Point: 570.727 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)C(C(=O)OCC)(NC(=O)C)CCc1ccc(cc1)CCCCCCCC
(2)Std. InChI: InChI=1S/C25H39NO5/c1-5-8-9-10-11-12-13-21-14-16-22(17-15-21)18-19-25(26-20(4)27,23(28)30-6-2)24(29)31-7-3/h14-17H,5-13,18-19H2,1-4H3,(H,26,27)
(3)Std. InChIKey: RYOKCHIAMHPMLV-UHFFFAOYSA-N

Product Name

diethyl 2-acetamido-2-(4-octylphenethyl)malonate

Diethyl 2-(acetamido)-2-(2-(4-octylphenyl)ethyl)propanedioate Specification

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