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1,3-Dimethylpentylamine

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Name

1,3-Dimethylpentylamine

EINECS 203-296-1
CAS No. 105-41-9 Density 0.775 g/cm3
PSA 26.02000 LogP 2.47010
Solubility soluble in water Melting Point 120-130 °C
Formula C7H17N Boiling Point 133.9 °C at 760 mmHg
Molecular Weight 115.219 Flash Point 28.9 °C
Transport Information N/A Appearance white or category of white crystal powder
Safety 26-36/37/39-45 Risk Codes 10-22-34
Molecular Structure Molecular Structure of 105-41-9 (1,3-Dimethylpentylamine) Hazard Symbols C
Synonyms

NSC 1106;Forthan;Methylhexaneamine;Forthane;Pentylamine,1,3-dimethyl- (6CI,7CI,8CI);1,3-Dimethylamylamine;2-Amino-4-methylhexane;4-Methyl-2-hexylamine;

 

1,3-Dimethylpentylamine 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
ConditionsYield
With ethanol; sodium; toluene
105-41-9

1,3-dimethylamylamine

79-11-8

chloroacetic acid

1,3-dimethylpentylglycine hydrochloride

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With Cu2Al3Ox-HT In toluene at 160℃; for 24h; Sealed tube; Inert atmosphere;21%
105-41-9

1,3-dimethylamylamine

123-38-6

propionaldehyde

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

Conditions
ConditionsYield
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
ConditionsYield
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

1,3-Dimethylpentylamine 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.

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