N,N-Dimethylhexadecylamine supplier

Name
Hexadecyldimethylamine
EINECS 203-997-2
CAS No. 112-69-6
Article Data22
CAS DataBase
Density 0.809 g/cm³
Solubility Insoluble in water
Melting Point 12oC
Formula C₁₈H₃₉N
Boiling Point 323.6 °C at 760 mmHg
Molecular Weight 269.514
Flash Point 140.4 °C
Transport Information UN 2735 8/PG 3
Appearance Liquid/Solid
Safety 26-36/37/39-45
Risk Codes 34
Molecular Structure
Hazard Symbols C
Synonyms Hexadecylamine,N,N-dimethyl- (6CI,7CI,8CI);AT 1695;Armeen DM 16D;Bairdcat B 16;Cetyldimethylamine;Dabco B 16;Dimethylcetylamine;Dimethylhexadecylamine;Dimethylpalmitylamine;Farmin DM 60;Farmin DM 6098;Genamin 16R302D;Hexadecyldimethylamine;IPL 67;N,N-Dimethyl-1-hexadecanamine;N,N-Dimethyl-n-hexadecylamine;N,N-Dimethylcetylamine;N,N-Dimethylhexadecylamine;N,N-Dimethylpalmitylamine;N-Hexadecyldimethylamine;NSC 404177;NSC 8493;Palmityldimethylamine;
PSA 3.24000
LogP 6.02930

Synthetic route

: 124-40-3
dimethyl amine

: 112-82-3
hexadecanyl bromide

: 112-69-6
N,N-dimethylhexadecylamine

Conditions

Conditions	Yield
In ethanol at 80℃; for 24h;	90%
In ethanol; water at 80℃; for 24h;	89.59%
at 120 - 130℃;

: 50-00-0
formaldehyd

: 143-27-1
hexadecylamine

: 112-69-6
N,N-dimethylhexadecylamine

Conditions

Conditions	Yield
With formic acid In water for 8h; Ambient temperature;	63%
With formic acid In ethanol for 10h; Reflux;	62%
With formic acid In ethanol; water at 77 - 79℃; for 2.6h;	55%

: 50-00-0
formaldehyd

: 64-18-6
formic acid

: 143-27-1
hexadecylamine

: 112-69-6
N,N-dimethylhexadecylamine

Conditions

Conditions	Yield
With ethanol

...Expand

: 505-86-2
cetyltrimethylammonium hydroxide

: 112-69-6
N,N-dimethylhexadecylamine

Conditions

Conditions	Yield
bei der Destillation;

: 4860-03-1
1-Chlorohexadecan

: 124-40-3
dimethyl amine

: 112-69-6
N,N-dimethylhexadecylamine

Conditions

Conditions	Yield
With ethanol at 140℃;
In water at 140 - 150℃;

trimethylcetylammonium hydroxide: trimethylcetylammonium hydroxide

: 112-69-6
N,N-dimethylhexadecylamine

Conditions

Conditions	Yield
durch Destillation;

: 36653-82-4
1-Hexadecanol

: 112-69-6
N,N-dimethylhexadecylamine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: zinc chloride, hydrogen chloride / 140 °C 2: H2O / 140 - 150 °C View Scheme

: 301-02-0
cis-9-octadecenoamide

: 1323108-64-0
N,N-dimethyl-(12S,13R)-epoxy-cis-9-octadecenyl amide

: 629-54-9
Palmitamide

: 124-26-5
stearamide

A: 112-69-6
N,N-dimethylhexadecylamine

B: 124-28-7
N,N-dimethyl-n-octadecylamine

C: 1323108-61-7
N,N-dimethyl-(12S,13R)-epoxy-cis-9-octadecenyl amine

D: 14727-68-5
N,N-dimethyl-N-oleylamine

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In diethyl ether for 0.5h; Reflux;

...Expand

: 67-56-1
methanol

: 143-27-1
hexadecylamine

: 112-69-6
N,N-dimethylhexadecylamine

Conditions

Conditions	Yield
With hydrogen at 100℃; under 7757.43 Torr; for 72h; Autoclave;	86 %Chromat.
With platinum on carbon; sodium hydroxide at 150℃; under 750.075 Torr; for 40h; Inert atmosphere; Autoclave;	98 %Chromat.

: 112-69-6
N,N-dimethylhexadecylamine

: 197573-07-2
1,1'-[ethane-1,2-diylbis(oxyethane-2,1-diyloxy)]bis[4-(chloromethyl)benzene]

: N,N'-(((((ethane-1,2-diylbis(oxy))bis(ethane-2,1-diyl))bis(oxy))bis(4,1-phenylene))bis(methylene))bis(N,N-dimethylhexadecan-1-aminium)chloride

Conditions

Conditions	Yield
In ethanol for 24h; Heating;	100%

: 110-52-1
1,4-dibromo-butane

: 112-69-6
N,N-dimethylhexadecylamine

: 29908-17-6
butane-1,4-diyl bis(N,N-dimethyl-N-hexadecylammonium) dibromide

Conditions

Conditions	Yield
In ethanol at 80℃; for 48h;	99%
In acetonitrile for 0.5h; Heating;	94%
In ethanol; ethyl acetate for 48h; Reflux; Inert atmosphere;	59%

: 111-24-0
1,5-dibromo-pentane

: 112-69-6
N,N-dimethylhexadecylamine

: 1,5-bis(N-hexadecyl-N,N-dimethylammonium)pentane dibromide

Conditions

Conditions	Yield
In ethanol at 80℃; for 48h;	99%
In acetonitrile for 2.5h; Reflux;	90%
In ethanol for 48h; Reflux;	83%

: 629-03-8
1 ,6-dibromohexane

: 112-69-6
N,N-dimethylhexadecylamine

: 15590-96-2
1,6-bis(N-hexadecyl-N,N-dimethylammonium)hexane dibromide

Conditions

Conditions	Yield
In ethanol at 80℃; for 48h;	99%
In acetonitrile at 82℃; for 48h; Menshutkin Reaction;	97%
In ethanol at 80℃; for 48h; Reflux;	83%

: 629-03-8
1 ,6-dibromohexane

: 112-69-6
N,N-dimethylhexadecylamine

: C24H51BrN(1+)*Br(1-)

Conditions

Conditions	Yield
In diethyl ether at 40℃; for 12h; Temperature;	99%

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

: 112-69-6
N,N-dimethylhexadecylamine

: 87673-96-9, 94941-64-7, 94941-68-1
C40H84N2(2+)*2Br(1-)

Conditions

Conditions	Yield
In acetonitrile for 0.5h; Heating;	98%

: 1633-83-6
1,4-butane sultone

: 112-69-6
N,N-dimethylhexadecylamine

: 58930-07-7
N-hexadecyl-N,N-dimethyl-3-ammonio-1-butanesulfonate

Conditions

Conditions	Yield
In acetone for 12h; Reflux;	97.84%
In ethyl acetate at 20℃;

: 112-69-6
N,N-dimethylhexadecylamine

: 7128-91-8
hexadecyldimethylamine oxide

Conditions

Conditions	Yield
With dihydrogen peroxide In methanol at 70℃; for 16h;	97%
With dihydrogen peroxide In methanol; water	83%
With dihydrogen peroxide; acetone at 45 - 50℃;
With caro's acid

: 74-96-4
ethyl bromide

: 112-69-6
N,N-dimethylhexadecylamine

: 124-03-8
hexadecyldimethylethylammonium bromide

Conditions

Conditions	Yield
In acetonitrile for 10h; Heating;	97%
In ethanol Heating;

: 4549-32-0
1,8-dibromooctane

: 112-69-6
N,N-dimethylhexadecylamine

: Bis(hexadecyldimethylammonium)octane dibromide

Conditions

Conditions	Yield
In acetonitrile at 82℃; for 48h; Menshutkin Reaction;	97%
In ethanol for 48h; Heating; Yield given;
In ethanol at 80℃; for 48h; Yield given;
In ethanol Heating;

: 623-24-5
1,4-bis(bromomethyl)benzene

: 112-69-6
N,N-dimethylhexadecylamine

: N,N'-dihexadecyl-N,N,N',N'-tetramethyl-N,N'-(p-xylenediyl)diammonium dibromide

Conditions

Conditions	Yield
In acetone for 12h; Reflux;	96%
In propan-1-ol for 10h;	90%
In acetone

: 112-69-6
N,N-dimethylhexadecylamine

: 6761-07-5
2-chloro-N-(2-methyl-4-oxoquinazolin-3(4H)-yl)acetamide

: N,N-dimethyl-N-{2-[(2-methyl-4-oxoquinazolin-3(4H)-yl)-amino]-2-oxoethyl}hexadecan-1-aminium chloride

Conditions

Conditions	Yield
In ethanol at 120℃; for 48h;	96%

: 112-69-6
N,N-dimethylhexadecylamine

: 152675-28-0
N-(2-phenyl-3,4-dihydro-4-oxoquinazolin-3-yl)chloroacetamide

: N,N-dimethyl-N-{2-oxo-2-[(4-oxo-2-phenylquinazol in-3(4H)- yl) amino]ethyl}hexadecan-1-aminium chloride

Conditions

Conditions	Yield
In ethanol at 120℃; for 48h;	96%

: 112-69-6
N,N-dimethylhexadecylamine

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

: N,N-dimethyl(3-bromopropyl)hexadecyl ammonium bromide

Conditions

Conditions	Yield
With tetra-(n-butyl)ammonium iodide In ethanol for 8h; Reflux;	95.5%

: 1120-71-4
1,3-propanesultone

: 112-69-6
N,N-dimethylhexadecylamine

: 2281-11-0
N-Hexadecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate

Conditions

Conditions	Yield
In acetone for 12h; Reflux;	95.48%
In acetone
In ethyl acetate at 20℃;
In ethyl acetate at 60℃; for 3h; Green chemistry;
In ethyl acetate at 60℃; for 3h;

: 3344-70-5
1,12-dibromododecane

: 112-69-6
N,N-dimethylhexadecylamine

: dodecanediyl-1,12-bis(cetyldimethylammonium bromide)

Conditions

Conditions	Yield
In acetonitrile at 82℃; for 48h; Menshutkin Reaction;	95%
In ethanol for 48h; Heating; Yield given;
In ethanol at 80℃; for 48h; Yield given;
In ethanol Heating;
In ethanol at 80℃; for 48h;

: 112-69-6
N,N-dimethylhexadecylamine

: 3375-31-3
palladium diacetate

: Pd(2+)*2(CH3)2NC16H33*2CH3COO(1-)=Pd((CH3)2NC16H33)2(CH3COO)2

Conditions

Conditions	Yield
In acetone Me2NC16H33 added to Pd(OAc)2 dissolved in dry acetone under N2; mixt. stirred for 1 h at room temp. and then solvent evapd. in vac.; recrystd. from pentane, elem. anal.;	95%

: 112-69-6
N,N-dimethylhexadecylamine

: 65094-22-6
diethyl (bromodifluoromethyl)phosphonate

: difluoromethylhexadecyldimethylammonium bromide

Conditions

Conditions	Yield
With methanol; cesium fluoride In dichloromethane at 25℃; Inert atmosphere; Sealed tube; chemoselective reaction;	95%

: 112-69-6
N,N-dimethylhexadecylamine

: 79-07-2
Chloroacetamide

: 15646-40-9
cetyldimethyl ammonium acetamido chloride

Conditions

Conditions	Yield
In acetonitrile for 18h; Reflux;	94%
With ethanol at 120 - 130℃;
With methanol at 60℃; 10-taegiges Erwaermen;

: 856408-82-7
methyl 3α-bromoacetoxy-5β-cholan-24-oate

: 112-69-6
N,N-dimethylhexadecylamine

: N,N-dimethyl-(methyl 3α-acetoxy-5β-cholan-24-oate)-N-hexadecylammonium bromide

Conditions

Conditions	Yield
In acetonitrile at 81℃; for 3h;	94%

: 112-69-6
N,N-dimethylhexadecylamine

: 96-32-2
bromoacetic acid methyl ester

: 5466-51-3
carboxymethyl-hexadecyl-dimethyl-ammonium; bromide

Conditions

Conditions	Yield
Stage #1: N,N-dimethylhexadecylamine; bromoacetic acid methyl ester at 20℃; for 12h; Inert atmosphere; Stage #2: With hydrogenchloride In water for 1h; Reflux;	93%

: 112-69-6
N,N-dimethylhexadecylamine

: 100-44-7
benzyl chloride

: 122-18-9
cetyldimethylbenzylammonium chloride

Conditions

Conditions	Yield
In ethanol at 40℃; for 6h; Solvent; Temperature; Large scale;	92.1%
In propan-1-ol at 50℃; for 3h; Temperature; Solvent; Large scale;	92.1%
at 120℃;

: 112-69-6
N,N-dimethylhexadecylamine

: C15H17BrN(1+)*Br(1-)

: M-P,16,16

Conditions

Conditions	Yield
In ethanol Reflux;	92%

: 112-69-6
N,N-dimethylhexadecylamine

: 1373830-60-4
Br(1-)*C14H14Br2N(1+)

: M-P,16,16

Conditions

Conditions	Yield
In ethanol Menshutkin Reaction; Reflux;	91.6%

: 112-69-6
N,N-dimethylhexadecylamine

: 106-78-5
chloroacetic acid 2-[2-(2-chloro-acetoxy)-ethoxy]-ethyl ester

: 2,2′-[(oxybis(ethane-1,2-diyl))bis(oxy)]bis(N-hexadecyl-N,N-dimethyl-2-oxoethanaminium) dichloride

Conditions

Conditions	Yield
In acetone for 24h; Reflux; Green chemistry;	91.3%
In ethyl acetate for 10h; Reflux;
In ethyl acetate for 10h; Reflux;

: 2461-18-9
dodecyl glycidyl ether

: 112-69-6
N,N-dimethylhexadecylamine

: 2016-45-7
N,N-dimethylhexadecylamine hydrochloride

: C31H66NO2(1+)*Cl(1-)

Conditions

Conditions	Yield
In isopropyl alcohol for 24h; Reflux;	90%

...Expand

: 112-69-6
N,N-dimethylhexadecylamine

: 2016-45-7
N,N-dimethylhexadecylamine hydrochloride

: 117606-92-5, 121403-67-6, 123483-78-3, 15965-99-8
cetyl glycidyl ether

: C35H74NO2(1+)*Cl(1-)

Conditions

Conditions	Yield
In isopropyl alcohol for 24h; Reflux;	90%

...Expand

: 112-69-6
N,N-dimethylhexadecylamine

: 2016-45-7
N,N-dimethylhexadecylamine hydrochloride

: 38954-75-5
1-tetradecyloxy-2,3-epoxypropane

: C33H70NO2(1+)*Cl(1-)

Conditions

Conditions	Yield
In isopropyl alcohol for 24h; Reflux;	90%

...Expand

: 112-69-6
N,N-dimethylhexadecylamine

: 6941-69-1
1,2-bis(chloroacetoxy)ethane

: ethane-1,2-diyl bis(N,N-dimethyl-N-hexadecylammoniumacetoxy) dichloride

Conditions

Conditions	Yield
In ethyl acetate for 10h; Reflux;	90%
In ethyl acetate for 10h; Reflux;	78.7%
In dichloromethane; ethyl acetate for 12h; Reflux; Inert atmosphere;	59%

N,N-Dimethylhexadecylamine Standards and Recommendations

Wt/Wt %: 95-100

N,N-Dimethylhexadecylamine Specification

The Hexadecyldimethylamine, with the CAS registry number 112-69-6, is also known as 1-(Dimethylamino)hexadecane. It belongs to the product category of Industrial/Fine Chemicals. Its EINECS registry number is 203-997-2. This chemical's molecular formula is C₁₈H₃₉N and molecular weight is 269.51. Its IUPAC name is called N,N-dimethylhexadecan-1-amine. This chemical's classification code is Drug / Therapeutic Agent.

Physical properties of Hexadecyldimethylamine: (1)ACD/LogP: 8.03; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.96; (4)ACD/LogD (pH 7.4): 5.73; (5)ACD/BCF (pH 5.5): 635.22; (6)ACD/BCF (pH 7.4): 3715.42; (7)ACD/KOC (pH 5.5): 472.93; (8)ACD/KOC (pH 7.4): 2766.16; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 15; (11)Index of Refraction: 1.448; (12)Molar Refractivity: 89.16 cm³; (13)Molar Volume: 332.9 cm³; (14)Surface Tension: 29.2 dyne/cm; (15)Density: 0.809 g/cm³; (16)Flash Point: 140.4 °C; (17)Enthalpy of Vaporization: 56.55 kJ/mol; (18)Boiling Point: 323.6 °C at 760 mmHg; (19)Vapour Pressure: 0.000259 mmHg at 25°C.

Uses of Hexadecyldimethylamine: it can be used to produce ethyl-hexadecyl-dimethyl-ammonium; bromide by heating. This reaction will need solvent ethanol.

When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact and may cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCCCCCCN(C)C
(2)InChI: InChI=1S/C18H39N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3/h4-18H2,1-3H3
(3)InChIKey: NHLUVTZJQOJKCC-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	> 3gm/kg (3000mg/kg)		Oyo Yakuri. Pharmacometrics. Vol. 12, Pg. 171, 1976.
mouse	LD50	subcutaneous	> 3gm/kg (3000mg/kg)		Oyo Yakuri. Pharmacometrics. Vol. 12, Pg. 171, 1976.

Product Name

Hexadecyldimethylamine

Synthetic route

N,N-Dimethylhexadecylamine Standards and Recommendations

N,N-Dimethylhexadecylamine Specification

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