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Octadecanamide,N-[2-[(2-hydroxyethyl)amino]ethyl]-
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Name

Octadecanamide,N-[2-[(2-hydroxyethyl)amino]ethyl]-

 EINECS 205-469-7
CAS No. 141-21-9 Density 0.917 g/cm3
PSA 64.85000 LogP 6.17720
Solubility N/A Melting Point N/A
Formula C22H46N2O2 Boiling Point 543.4 °C at 760 mmHg
Molecular Weight 370.619 Flash Point 282.4 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 141-21-9 (N-[2-[(2-hydroxyethyl)amino]ethyl]stearamide) Hazard Symbols N/A
Synonyms

N-(2-Hydroxyethyl)-N'-octadecanoylethylenediamine;N-(2-Hydroxyethyl)-N'-stearoylethylenediamine;N-Stearoyl-N'-(2-hydroxyethyl)ethylenediamine;N-Stearoyl-N'-(b-hydroxyethyl)ethylenediamine;N-[2-[(2-Hydroxyethyl)amino]ethyl]stearamide;

Article Data 8

Octadecanamide,N-[2-[(2-hydroxyethyl)amino]ethyl]- Synthetic route

111-41-1

2-(2-Aminoethylamino)ethanol

57-11-4

stearic acid

141-21-9

[2-(2-hydroxyethylamino)ethyl]heptadecylamide

Conditions
ConditionsYield
With calcium oxide at 140℃; for 0.0666667h; microwave irradiation;92%
111-61-5

stearic acid ethyl ester

111-41-1

2-(2-Aminoethylamino)ethanol

141-21-9

[2-(2-hydroxyethylamino)ethyl]heptadecylamide

Conditions
ConditionsYield
at 130 - 230℃;
141-21-9

[2-(2-hydroxyethylamino)ethyl]heptadecylamide

95-19-2

2-heptadecyl-1-(2-hydroxyethyl)-2-imidazoline

Conditions
ConditionsYield
at 220℃; for 4h;

Octadecanamide,N-[2-[(2-hydroxyethyl)amino]ethyl]- Specification

The Octadecanamide,N-[2-[(2-hydroxyethyl)amino]ethyl]- is an organic compound with the formula C22H46N2O2. The IUPAC name of this chemical is N-[2-(2-hydroxyethylamino)ethyl]octadecanamide. With the CAS registry number 141-21-9, it is also named as Ethanol, 2-(2-stearamidoethylamino)-.

Physical properties about Octadecanamide,N-[2-[(2-hydroxyethyl)amino]ethyl]- are: (1)ACD/LogP: 6.72; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.05; (4)ACD/LogD (pH 7.4): 5.71; (5)ACD/BCF (pH 5.5): 161.01; (6)ACD/BCF (pH 7.4): 7354.03; (7)ACD/KOC (pH 5.5): 230.86; (8)ACD/KOC (pH 7.4): 10544.86; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 22; (12)Polar Surface Area: 32.78 Å2; (13)Index of Refraction: 1.47; (14)Molar Refractivity: 112.72 cm3; (15)Molar Volume: 403.9 cm3; (16)Polarizability: 44.68×10-24cm3; (17)Surface Tension: 35.3 dyne/cm; (18)Density: 0.917 g/cm3; (19)Flash Point: 282.4 °C; (20)Enthalpy of Vaporization: 94.48 kJ/mol; (21)Boiling Point: 543.4 °C at 760 mmHg; (22)Vapour Pressure: 4.51E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NCCNCCO)CCCCCCCCCCCCCCCCC
(2)InChI: InChI=1/C22H46N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)24-19-18-23-20-21-25/h23,25H,2-21H2,1H3,(H,24,26)
(3)InChIKey: KWTFEBYZFYIHFO-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C22H46N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)24-19-18-23-20-21-25/h23,25H,2-21H2,1H3,(H,24,26)
(5)Std. InChIKey: KWTFEBYZFYIHFO-UHFFFAOYSA-N

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