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112-69-6

Basic Information
CAS No.: 112-69-6
Name: Hexadecyldimethylamine
Article Data: 22
Molecular Structure:
Molecular Structure of 112-69-6 (Hexadecyldimethylamine)
Formula: C18H39N
Molecular Weight: 269.514
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;
EINECS: 203-997-2
Density: 0.809 g/cm3
Melting Point: 12oC
Boiling Point: 323.6 °C at 760 mmHg
Flash Point: 140.4 °C
Solubility: Insoluble in water
Appearance: Liquid/Solid
Hazard Symbols: CorrosiveC
Risk Codes: 34
Safety: 26-36/37/39-45
Transport Information: UN 2735 8/PG 3
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With ethanol
505-86-2

cetyltrimethylammonium hydroxide

112-69-6

N,N-dimethylhexadecylamine

Conditions
ConditionsYield
bei der Destillation;
4860-03-1

1-Chlorohexadecan

124-40-3

dimethyl amine

112-69-6

N,N-dimethylhexadecylamine

Conditions
ConditionsYield
With ethanol at 140℃;
In water at 140 - 150℃;
trimethylcetylammonium hydroxide

trimethylcetylammonium hydroxide

112-69-6

N,N-dimethylhexadecylamine

Conditions
ConditionsYield
durch Destillation;
36653-82-4

1-Hexadecanol

112-69-6

N,N-dimethylhexadecylamine

Conditions
ConditionsYield
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
ConditionsYield
With lithium aluminium tetrahydride In diethyl ether for 0.5h; Reflux;
67-56-1

methanol

143-27-1

hexadecylamine

112-69-6

N,N-dimethylhexadecylamine

Conditions
ConditionsYield
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
ConditionsYield
In ethanol for 24h; Heating;100%
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Standards and Recommendations

Wt/Wt %: 95-100

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.