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Heptaminol

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Name

Heptaminol

EINECS 206-758-0
CAS No. 372-66-7 Density 0.895 g/cm3
Solubility Melting Point
Formula C8H19NO Boiling Point 250.138 °C at 760 mmHg
Molecular Weight 145.24 Flash Point 105.08 °C
Transport Information Appearance Clear colourless oily liquid
Safety 45-36/37/39-26 Risk Codes 34
Molecular Structure Molecular Structure of 372-66-7 (2-Heptanol,6-amino-2-methyl-) Hazard Symbols CorrosiveC
Synonyms

(5-Hydroxy-1,5-dimethylhexyl)amine;2-Amino-6-hydroxy-6-methylheptane;2-Methyl-6-amino-2-heptanol;6-Hydroxy-6-methyl-2-aminoheptane;6-Hydroxy-6-methyl-2-heptamine;6-Hydroxy-6-methyl-2-heptylamine;6-Methyl-2-amino-6-heptanol;

 

Heptaminol Specification

The 2-Heptanol,6-amino-2-methyl-, with the CAS registry number 372-66-7, is also known as Heptaminol. It belongs to the classification code of Drug / Therapeutic Agent. Its EINECS registry number is 206-758-0. This chemical's molecular formula is C8H19NO and molecular weight is 145.24. What's more, its IUPAC name is called 6-Amino-2-methylheptan-2-ol. It should be stored in a cool, dry and well-ventilated place. This chemical is an amino alcohol which is classified as a vasodilator. It is sometimes used in the treatment of low blood pressure, particularly orthostatic hypotension.

Physical properties about 2-Heptanol,6-amino-2-methyl- are: (1)ACD/LogP: 0.777; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.32; (4)ACD/LogD (pH 7.4): -2.22; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 46.25 Å2; (13)Index of Refraction: 1.456; (14) Molar Refractivity: 44.106 cm3; (15)Molar Volume: 162.198 cm3; (16)Polarizability: 17.485×10-24cm3; (17)Surface Tension: 32.973 dyne/cm; (18)Density: 0.895 g/cm3; (19)Flash Point: 105.08 °C; (20)Enthalpy of Vaporization: 56.627 kJ/mol; (21)Boiling Point: 250.138 °C at 760 mmHg; (22)Vapour Pressure: 0.00400 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical may destroy living tissue on contact and ma cause burns. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
(1) SMILES: OC(C)(C)CCCC(N)C
(2) InChI: InChI=1S/C8H19NO/c1-7(9)5-4-6-8(2,3)10/h7,10H,4-6,9H2,1-3H3
(3) InChIKey: LREQLEBVOXIEOM-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1250mg/kg (1250mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 230, Pg. 142, 1957.

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