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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
Solubility soluble in water Melting Point 120-130 °C
Formula C7H17N Boiling Point 133.9 °C at 760 mmHg
Molecular Weight 115.22 Flash Point 28.9 °C
Transport Information Appearance white or category of white crystal powder
Safety Risk Codes
Molecular Structure Molecular Structure of 105-41-9 (1,3-Dimethylpentylamine) Hazard Symbols
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 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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