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CAS No.: | 7651-02-7 |
---|---|
Name: | N-[3-(DIMETHYLAMINO)PROPYL]STEARAMIDE |
Article Data: | 26 |
Molecular Structure: | |
Formula: | C23H48N2O |
Molecular Weight: | 368.647 |
Synonyms: | Adogen S18V;Armeen APA 168-65E;Armeen APA 168E;Catinal MPAS;Catiogen SPA;ChemdexS;Incromine SB;Lexamine S 13;N,N-Dimethyl-3-(octadecanoylamino)propylamine;N,N-Dimethyl-N'-stearoyl-1,3-propanediamine;N-[3-(Dimethylamino)-1-propyl]octadecanamide;N-[3-(Dimethylamino)propyl]octadecanamide;N-[3-(Dimethylamino)propyl]stearamide;NSC 86167;Nikkol Amidoamine MPS;N',N'-Dimethyl-N-octadecanoyl-1,3-diaminopropane;SAPDMA;Stearamidopropyldimethylamine;Stearic acid 3-(dimethylaminopropyl)amide;Stearic aciddimethylaminopropylamide;Stearylamidopropyldimethylamine;Stepan SAA;TegamineS 13;Tego Amid S 18; |
EINECS: | 231-609-1 |
Density: | 0.874 g/cm3 |
Melting Point: | 49-50 °C |
Boiling Point: | 496.9 °C at 760 mmHg |
Flash Point: | 254.3 °C |
Solubility: | 10mg/L at 20℃ |
PSA: | 32.34000 |
LogP: | 6.70670 |
Conditions | Yield |
---|---|
With KF/Al2 O3 at 60 - 110℃; for 9h; | 98% |
at 120 - 130℃; | 95% |
With aluminum oxide; sodium fluoride at 160℃; for 10h; Inert atmosphere; | 71% |
Methyl stearate
1-amino-3-(dimethylamino)propane
stearamidopropyl dimethylamine
Conditions | Yield |
---|---|
With zeolite at 115 - 120℃; for 12h; Dean-Stark; | 93% |
1-hydroxyethylene-(1,1-diphosphonic acid) at 185 - 200℃; for 12h; Product distribution / selectivity; | |
at 185 - 200℃; for 12h; Product distribution / selectivity; |
N,N,N'N'-tetramethyl-1,3-propanediamine
stearic acid
stearamidopropyl dimethylamine
Conditions | Yield |
---|---|
In toluene Inert atmosphere; Darkness; | 80% |
Conditions | Yield |
---|---|
at 200 - 230℃; |
1-amino-3-(dimethylamino)propane
stearic acid
A
stearamidopropyl dimethylamine
B
N-hexadecanoyl-N',N'-dimethyl-1,3-diaminopropane
Conditions | Yield |
---|---|
at 75 - 170℃; for 7h; |
1-amino-3-(dimethylamino)propane
Stearoyl chloride
stearamidopropyl dimethylamine
Conditions | Yield |
---|---|
In toluene at 30℃; Inert atmosphere; |
stearamidopropyl dimethylamine
N-[3-(dimethylamino)propyl]octadecanamide hydrochloride
Conditions | Yield |
---|---|
With hydrogenchloride In dichloromethane for 1.5h; | 97% |
stearamidopropyl dimethylamine
Conditions | Yield |
---|---|
With dihydrogen peroxide In ethanol at 50℃; for 12h; | 97% |
Conditions | Yield |
---|---|
With sodium hydroxide In isopropyl alcohol at 80℃; for 24h; | 96.1% |
Conditions | Yield |
---|---|
In neat (no solvent) at 90℃; for 7h; Alkaline conditions; | 92.4% |
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The Octadecanamide,N-[3-(dimethylamino)propyl]-, with the CAS registry number 7651-02-7, has the systematic name of N-[3-(dimethylamino)propyl]octadecanamide. It belongs to the procuct categories of Hair Care and Home Care. And the molecular formula of the chemical is C23H48N2O.
The characteristics of Octadecanamide,N-[3-(dimethylamino)propyl]- are as followings: (1)ACD/LogP: 7.82; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.82; (4)ACD/LogD (pH 7.4): 6.05; (5)ACD/BCF (pH 5.5): 518.1; (6)ACD/BCF (pH 7.4): 8684.91; (7)ACD/KOC (pH 5.5): 428.28; (8)ACD/KOC (pH 7.4): 7179.2; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 20; (12)Polar Surface Area: 23.55 Å2; (13)Index of Refraction: 1.462; (14)Molar Refractivity: 115.95 cm3; (15)Molar Volume: 421.3 cm3; (16)Polarizability: 45.96×10-24cm3; (17)Surface Tension: 32.4 dyne/cm; (18)Density: 0.874 g/cm3; (19)Flash Point: 254.3 °C; (20)Enthalpy of Vaporization: 76.48 kJ/mol; (21)Boiling Point: 496.9 °C at 760 mmHg; (22)Vapour Pressure: 5.19E-10 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(NCCCN(C)C)CCCCCCCCCCCCCCCCC
(2)InChI: InChI=1/C23H48N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)24-21-19-22-25(2)3/h4-22H2,1-3H3,(H,24,26)
(3)InChIKey: WWVIUVHFPSALDO-UHFFFAOYAC