CAS No.7651-02-7,N-[3-(DIMETHYLAMINO)PROPYL]STEARAMIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	7651-02-7
Name:	N-[3-(DIMETHYLAMINO)PROPYL]STEARAMIDE
Article Data:	26

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

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%

Total:36 Page 1 of 1 1

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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