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Cas Database |
| Name |
N,N-Bis(2-hydroxyethyl)octadecanamide |
EINECS | 202-280-1 |
| CAS No. | 93-82-3 | Density | 0.95 g/cm3 |
| PSA | 60.77000 | LogP | 5.06110 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C22H45NO3 | Boiling Point | 516.3 °C at 760 mmHg |
| Molecular Weight | 371.604 | Flash Point | 266 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
AlkamideDS-280;Amisol SDE;Clindrol 868;Cyclomide SD;Diethanolamine stearic acidamide;Diethanolamine stearylamide;Diethanolstearamide;Electrostripper ES;Ethox 2984;Lipamide S;Monamid 718;N,N-Bis(2-hydroxyethyl)stearamide;N-Stearoyl diethanolamine;Onyxol 42;Schercomid ST;Stearamide DEA;Stearicacid diethanolamide;Stearyldiethanolamide;Unamide S; |
Article Data | 9 |
N,N-Bis(2-hydroxyethyl)octadecanamide Synthetic route
| Conditions | Yield |
|---|---|
| With sodium hydroxide at 110℃; for 5h; | 82.58% |
| Conditions | Yield |
|---|---|
| With Candida antarctica lipase In acetonitrile at 50℃; for 24h; Kinetics; | |
| Stage #1: 2,2'-iminobis[ethanol]; stearic acid With benzotriazol-1-ol; triethylamine In dichloromethane for 0.25h; Cooling with ice; Stage #2: With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; Cooling with ice; | |
| Stage #1: 2,2'-iminobis[ethanol]; stearic acid at 145℃; for 5h; Inert atmosphere; Stage #2: With sodium methylate at 80℃; for 3h; Temperature; Inert atmosphere; |
| Conditions | Yield |
|---|---|
| With tert.-butylhydroperoxide; ammonia In dichloromethane at -5℃; pH=10; |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: caprolactam; thionyl chloride / ethanol / -5 °C 2: ammonia; tert.-butylhydroperoxide / dichloromethane / -5 °C / pH 10 View Scheme |
| Conditions | Yield |
|---|---|
| With sodium hydroxide In tetrahydrofuran for 16h; Reflux; | 56.12% |
| Conditions | Yield |
|---|---|
| With Candida antarctica lipase In acetonitrile at 50℃; for 24h; Kinetics; |
| Conditions | Yield |
|---|---|
| Stage #1: N,N-bis(2-hydroxyethyl)stearamide; sodium hydroxide; tetramethyl ammoniumhydroxide In water at 80 - 90℃; under 15.0015 Torr; for 1h; dehydration; Stage #2: oxirane In water at 80 - 90℃; for 3h; Product distribution / selectivity; | |
| Stage #1: N,N-bis(2-hydroxyethyl)stearamide; sodium methylate at 80 - 90℃; under 15.0015 Torr; for 1h; dehydration; Stage #2: oxirane at 80 - 90℃; for 3h; Product distribution / selectivity; |
| Conditions | Yield |
|---|---|
| With tetrabutyl-ammonium chloride; sodium hydroxide In water at 0 - 20℃; for 12.5h; |
| Conditions | Yield |
|---|---|
| In toluene at 110℃; Inert atmosphere; |
N,N-Bis(2-hydroxyethyl)octadecanamide Specification
The Octadecanamide,N,N-bis(2-hydroxyethyl)-, with the CAS registry number 93-82-3 and EINECS registry number 202-280-1, has the systematic name and IUPAC name of N,N-bis(2-hydroxyethyl)octadecanamide. It belongs to the product category of Home Care. And the molecular formula of the chemical is C22H45NO3.
The characteristics of Octadecanamide,N,N-bis(2-hydroxyethyl)- are as followings: (1)ACD/LogP: 7.13; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.13; (4)ACD/LogD (pH 7.4): 7.13; (5)ACD/BCF (pH 5.5): 153110.41; (6)ACD/BCF (pH 7.4): 153110.41; (7)ACD/KOC (pH 5.5): 179062.06; (8)ACD/KOC (pH 7.4): 179062.06; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 22; (12)Polar Surface Area: 38.77 Å2; (13)Index of Refraction: 1.478; (14)Molar Refractivity: 110.79 cm3; (15)Molar Volume: 391 cm3; (16)Polarizability: 43.92×10-24cm3; (17)Surface Tension: 38.1 dyne/cm; (18)Density: 0.95 g/cm3; (19)Flash Point: 266 °C; (20)Enthalpy of Vaporization: 90.73 kJ/mol; (21)Boiling Point: 516.3 °C at 760 mmHg; (22)Vapour Pressure: 8.1E-13 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(N(CCO)CCO)CCCCCCCCCCCCCCCCC
(2)InChI: InChI=1/C22H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)23(18-20-24)19-21-25/h24-25H,2-21H2,1H3
(3)InChIKey: XGZOMURMPLSSKQ-UHFFFAOYAI
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