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

Name
N-[2-[(2-hydroxyethyl)amino]ethyl]stearamide
EINECS 205-469-7
CAS No. 141-21-9
Article Data8
CAS DataBase
Density 0.917 g/cm³
Solubility
Melting Point
Formula C₂₂H₄₆N₂O₂
Boiling Point 543.4 °C at 760 mmHg
Molecular Weight 370.619
Flash Point 282.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 64.85000
LogP 6.17720

Synthetic route

: 111-41-1
2-(2-Aminoethylamino)ethanol

: 57-11-4
stearic acid

: 141-21-9
[2-(2-hydroxyethylamino)ethyl]heptadecylamide

Conditions

Conditions	Yield
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

Conditions	Yield
at 130 - 230℃;

: 141-21-9
[2-(2-hydroxyethylamino)ethyl]heptadecylamide

: 95-19-2
2-heptadecyl-1-(2-hydroxyethyl)-2-imidazoline

Conditions

Conditions	Yield
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

Product Name

N-[2-[(2-hydroxyethyl)amino]ethyl]stearamide

Synthetic route

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

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