CAS No.105-41-9,1,3-Dimethylpentylamine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	105-41-9
Name:	1,3-Dimethylpentylamine

Formula:	C₇H₁₇N
Molecular Weight:	115.219
Synonyms:	NSC 1106;Forthan;Methylhexaneamine;Forthane;Pentylamine,1,3-dimethyl- (6CI,7CI,8CI);1,3-Dimethylamylamine;2-Amino-4-methylhexane;4-Methyl-2-hexylamine;
EINECS:	203-296-1
Density:	0.775 g/cm³
Melting Point:	120-130 °C
Boiling Point:	133.9 °C at 760 mmHg
Flash Point:	28.9 °C
Solubility:	soluble in water
Appearance:	white or category of white crystal powder
Hazard Symbols:	C
Risk Codes:	10-22-34
Safety:	26-36/37/39-45
PSA:	26.02000
LogP:	2.47010

Synthetic route

: 105-42-0
4-methylhexan-2-one

: 105-41-9
1,3-dimethylamylamine

4-methyl-hexan-2-one oxime: 4-methyl-hexan-2-one oxime

: 105-41-9
1,3-dimethylamylamine

Conditions

Conditions	Yield
With ethanol; sodium; toluene

: 105-41-9
1,3-dimethylamylamine

: 79-11-8
chloroacetic acid

: 1,3-dimethylpentylglycine hydrochloride

Conditions

Conditions	Yield
Stage #1: 1,3-dimethylamylamine; chloroacetic acid With sodium hydrogencarbonate In water at 70℃; Stage #2: With hydrogenchloride In water for 168h; pH=2;	96%

: 98-98-6
2-Picolinic acid

: 105-41-9
1,3-dimethylamylamine

: N-(4-methylhexan-2-yl)picolinamide

Conditions

Conditions	Yield
With benzotriazol-1-ol; N-ethyl-N,N-diisopropylamine; dicyclohexyl-carbodiimide In dichloromethane at 20℃;	62%

: 111-87-5
octanol

: 105-41-9
1,3-dimethylamylamine

: 536-60-7
cuminol

: C25H45N

Conditions

Conditions	Yield
With Cu2Al3Ox-HT In toluene at 160℃; for 24h; Sealed tube; Inert atmosphere;	21%

...Expand

: 105-41-9
1,3-dimethylamylamine

: 123-38-6
propionaldehyde

: (1,3-dimethyl-pentyl)-propyliden-amine

Conditions

Conditions	Yield
at 0℃;

: 105-41-9
1,3-dimethylamylamine

: 621-62-5
chloroacetaldehyde diethyl acetal

: 100799-37-9
(2,2-diethoxy-ethyl)-(1,3-dimethyl-pentyl)-amine

Conditions

Conditions	Yield
at 120℃;

: 17742-79-9
(1,1-dimethyl-propylperoxy)-methanol

: 105-41-9
1,3-dimethylamylamine

: 33028-49-8
2--4-methylhexan

: 17742-78-8
hydroxymethyl tert-butyl peroxide

: 105-41-9
1,3-dimethylamylamine

: 32950-93-9
2--4-methylhexan

: 105-41-9
1,3-dimethylamylamine

: 26330-26-7
(1,1-dimethyl-butylperoxy)-methanol

: 32930-88-4
2--4-methylhexan

Raw Materials

105-42-0

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Specification

The CAS registry number of 1,3-Dimethylpentylamine is 105-41-9. In addition, the molecular formula is C₇H₁₇N and the molecular weight is 115.22. What's more, it is a vasoconstrictor, and can be administered by inhalation to the nasal mucosa to exert its effect. It is also a constituent of flower oil.

Physical properties about this chemical are: (1)ACD/LogP: 2.16; (2)ACD/LogD (pH 5.5): -0.94; (3)ACD/LogD (pH 7.4): -0.84; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 3.24 Å²; (12)Index of Refraction: 1.424; (13)Molar Refractivity: 37.93 cm³; (14)Molar Volume: 148.5 cm³; (15)Polarizability: 15.03 ×10^-24cm³; (16)Surface Tension: 25.7 dyne/cm; (17)Density: 0.775 g/cm³; (18)Flash Point: 28.9 °C; (19)Enthalpy of Vaporization: 37.14 kJ/mol; (20)Boiling Point: 133.9 °C at 760 mmHg; (21)Vapour Pressure: 8.29 mmHg at 25°C.

Preparation and uses of 1,3-Dimethylpentylamine: it may be synthesized by reacting 4-methylhexan-2-one with hydroxylammonium chloride to give the oxime, followed by reduction via sodium in ethanol. And it can be used as a nasal decongestant. Moreover, it is used in treatment for hypertrophied or hyperplasic oral tissues. In addition, it can be used as an OTC thermogenic or general purpose stimulant.

You can still convert the following datas into molecular structure:
(1)SMILES: NC(C)CC(C)CC
(2)InChI: InChI=1/C7H17N/c1-4-6(2)5-7(3)8/h6-7H,4-5,8H2,1-3H3
(3)InChIKey: YAHRDLICUYEDAU-UHFFFAOYAU

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	185mg/kg (185mg/kg)		"Merck Index; an Encyclopedia of Chemicals, Drugs, and Biologicals", 11th ed., Rahway, NJ 07065, Merck & Co., Inc. 1989Vol. 11, Pg. 957, 1989.