Octadecanamide,N-[3-(dimethylamino)propyl]- supplier

Name
N-[3-(DIMETHYLAMINO)PROPYL]STEARAMIDE
EINECS 231-609-1
CAS No. 7651-02-7
Article Data26
CAS DataBase
Density 0.874 g/cm³
Solubility 10mg/L at 20℃
Melting Point 49-50 °C
Formula C₂₃H₄₈N₂O
Boiling Point 496.9 °C at 760 mmHg
Molecular Weight 368.647
Flash Point 254.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 32.34000
LogP 6.70670

Synthetic route

: 109-55-7
1-amino-3-(dimethylamino)propane

: 57-11-4
stearic acid

: 7651-02-7
stearamidopropyl dimethylamine

Conditions

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%

: 112-61-8
Methyl stearate

: 109-55-7
1-amino-3-(dimethylamino)propane

: 7651-02-7
stearamidopropyl dimethylamine

Conditions

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;

: 110-95-2
N,N,N'N'-tetramethyl-1,3-propanediamine

: 57-11-4
stearic acid

: 7651-02-7
stearamidopropyl dimethylamine

Conditions

Conditions	Yield
In toluene Inert atmosphere; Darkness;	80%

: 109-55-7
1-amino-3-(dimethylamino)propane

octadecanoyl halide: octadecanoyl halide

: 7651-02-7
stearamidopropyl dimethylamine

Conditions

Conditions	Yield
at 200 - 230℃;

: 109-55-7
1-amino-3-(dimethylamino)propane

: 57-11-4
stearic acid

A: 7651-02-7
stearamidopropyl dimethylamine

B: 39669-97-1
N-hexadecanoyl-N',N'-dimethyl-1,3-diaminopropane

Conditions

Conditions	Yield
at 75 - 170℃; for 7h;

...Expand

: 109-55-7
1-amino-3-(dimethylamino)propane

: 112-76-5
Stearoyl chloride

: 7651-02-7
stearamidopropyl dimethylamine

Conditions

Conditions	Yield
In toluene at 30℃; Inert atmosphere;

: 7651-02-7
stearamidopropyl dimethylamine

: 83607-13-0
N-[3-(dimethylamino)propyl]octadecanamide hydrochloride

Conditions

Conditions	Yield
With hydrogenchloride In dichloromethane for 1.5h;	97%

: 7651-02-7
stearamidopropyl dimethylamine

: N,N-dimethyl-3-stearamidopropan-1-amine oxide

Conditions

Conditions	Yield
With dihydrogen peroxide In ethanol at 50℃; for 12h;	97%

: 821-06-7
(E)-1,4-dibromobutene

: 7651-02-7
stearamidopropyl dimethylamine

: C50H102N4O2(2+)*2Br(1-)

Conditions

Conditions	Yield
With sodium hydroxide In isopropyl alcohol at 80℃; for 24h;	96.1%

: 7651-02-7
stearamidopropyl dimethylamine

: 106-89-8
epichlorohydrin

: C49H102N4O3(2+)*Cl(1-)

Conditions

Conditions	Yield
In neat (no solvent) at 90℃; for 7h; Alkaline conditions;	92.4%

: 1120-71-4
1,3-propanesultone

: 7651-02-7
stearamidopropyl dimethylamine

: 20284-67-7
C18AMP3SB

Conditions

Conditions	Yield
In ethyl acetate at 80℃; for 8h;	91%
In ethyl acetate Reflux;

: 74-96-4
ethyl bromide

: 7651-02-7
stearamidopropyl dimethylamine

: 94036-28-9
N-stearoylaminopropyldimethylethylammonium bromide

Conditions

Conditions	Yield
In isopropyl alcohol for 8h; Heating;	88%
In acetone Inert atmosphere; Reflux;	80%

: 629-03-8
1 ,6-dibromohexane

: 7651-02-7
stearamidopropyl dimethylamine

: octadecanoic acid [3-({6-[(3-octadecanoylaminopropyl)dimethylamino]hexyl}dimethyl-amino)-propyl]amide dibromide

Conditions

Conditions	Yield
In acetone for 70h; Inert atmosphere; Reflux;	61%

: 7651-02-7
stearamidopropyl dimethylamine

: 109-64-8
1,3-dibromo-propane

: octadecanoic acid [3-({3-(3-octadecanoylaminopropyl)dimethylamino}dimethylamino)propyl]amide dibromide

Conditions

Conditions	Yield
In acetone for 71h; Inert atmosphere; Reflux;	60%

: 7651-02-7
stearamidopropyl dimethylamine

: 1433993-67-9
4-(hydroxymethyl)-1,3,2-dioxathiolane-2,2-dioxide

: 1442460-12-9
C26H54N2O6S

Conditions

Conditions	Yield
In tetrahydrofuran at 20 - 34℃; for 0.833333h;	22%

: 7651-02-7
stearamidopropyl dimethylamine

: 107-15-3
ethylenediamine

: 105-28-2
2-heptadecyl-2-imidazoline

Conditions

Conditions	Yield
With phenyl diamidophosphate 1.) 235-250 deg C, 8 min, 2.) 80 deg C, 20 min; Yield given. Multistep reaction;

: 7651-02-7
stearamidopropyl dimethylamine

: 109-76-2
Trimethylenediamine

: 88097-26-1
2-heptadecyl-1,4,5,6-tetrahydropyrimidine

Conditions

Conditions	Yield
With phenyl diamidophosphate 1.) 235-250 deg C, 8 min, 2.) reflux, 10 min; Yield given. Multistep reaction;

: 143-02-2
sulfuric acid monohexadecyl ester

: 143-03-3
sulfuric acid monooctadecyl ester

: 7651-02-7
stearamidopropyl dimethylamine

A: C16H34O4S*C23H48N2O

B: C18H38O4S*C23H48N2O

Conditions

Conditions	Yield
In phenoxyethyl alcohol at 50℃; for 0.166667h;

...Expand

: C20H42O4S

: 7651-02-7
stearamidopropyl dimethylamine

: C20H42O4S*C23H48N2O

Conditions

Conditions	Yield
at 80℃; Neat (no solvent);

: 143-03-3
sulfuric acid monooctadecyl ester

: 7651-02-7
stearamidopropyl dimethylamine

: C18H38O4S*C23H48N2O

Conditions

Conditions	Yield
at 80℃; Neat (no solvent);

: 612846-92-1
C24H50O4S

: 7651-02-7
stearamidopropyl dimethylamine

: C23H48N2O*C24H50O4S

Conditions

Conditions	Yield
at 80℃; Product distribution / selectivity; Neat (no solvent);
In 2-Phenoxyethanol; water at 50℃; for 0.0541667h; Product distribution / selectivity;
In 2-Phenoxyethanol at 50℃; for 0.166667h; Product distribution / selectivity;
In ethanol at 50℃; Product distribution / selectivity;

: 85-44-9
phthalic anhydride

: 7651-02-7
stearamidopropyl dimethylamine

: 106-89-8
epichlorohydrin

: C57H105N4O6(1+)*Cl(1-)

...Expand

: 7651-02-7
stearamidopropyl dimethylamine

: 104-15-4
toluene-4-sulfonic acid

: 849799-20-8
C7H8O3S*C23H48N2O

Conditions

Conditions	Yield
In water; isopropyl alcohol at 50℃;

: 96-23-1
1,3-Dichloro-2-propanol

: 10213-78-2
N,N-diethanolstearylamine

: 7651-02-7
stearamidopropyl dimethylamine

A: 18APDMA-3(OH)-18APDMA

B: 18APDMA-3(OH)-18HE2

C: 18HE2-3(OH)-18HE2

Conditions

Conditions	Yield
Product distribution / selectivity;

...Expand

: 7651-02-7
stearamidopropyl dimethylamine

: 107-06-2
1,2-dichloro-ethane

: 18APDMA-2-18APDMA

: 7651-02-7
stearamidopropyl dimethylamine

: 106-89-8
epichlorohydrin

: 18APDMA-3(OH)-18APDMA

Conditions

Conditions	Yield
With hydrogenchloride Product distribution / selectivity;

: 7651-02-7
stearamidopropyl dimethylamine

: 10248-74-5
2-(bis(2-hydroxyethyl)amino)ethyl stearate

: 106-89-8
epichlorohydrin

A: 18APDMA-3(OH)-18APDMA

B: C50H103N3O6(2+)*2Cl(1-)

C: 18EA1-3(OH)-18EA1

Conditions

Conditions	Yield
With hydrogenchloride Product distribution / selectivity;

...Expand

: 7651-02-7
stearamidopropyl dimethylamine

: 109-28-4
(9Z)-N-[3-(dimethylamino)propyl]octadec-9-enamide

: 106-89-8
epichlorohydrin

A: 18:1APDMA-3(OH)-18APDMA

B: 18APDMA-3(OH)-18APDMA

C: 18:1APDMA-3(OH)-18:1APDMA

Conditions

Conditions	Yield
With hydrogenchloride Product distribution / selectivity;

...Expand

: 7651-02-7
stearamidopropyl dimethylamine

: 107-07-3
2-chloro-ethanol

: C25H53N2O2(1+)*Cl(1-)

Conditions

Conditions	Yield
With 1-octadecanol; 1-Hexadecanol; triisodecyl phosphate at 90 - 150℃; for 4h;

Octadecanamide,N-[3-(dimethylamino)propyl]- Specification

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

Product Name

N-[3-(DIMETHYLAMINO)PROPYL]STEARAMIDE

Synthetic route

Octadecanamide,N-[3-(dimethylamino)propyl]- Specification

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