CAS No.112-69-6,1-Hexadecanamine,N,N-dimethyl- Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	112-69-6
Name:	1-Hexadecanamine,N,N-dimethyl-
Article Data:	22
Cas Database

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:	C
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

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%

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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.