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503-01-5

503-01-5 Structure

503-01-5 Structure
IdentificationBack Directory
[Name]

isometheptene
[CAS]

503-01-5
[Synonyms]

Octin
Octon
Octine
Isonyl
Midrid
Octanil
Octinum
isometheptene
ISOMETHEPTENUM
isometheptene USP/EP/BP
N,6-Dimethylhept-5-en-2-amine
IsomethepteneQ: What is Isometheptene Q: What is the CAS Number of Isometheptene
[EINECS(EC#)]

207-959-6
[Molecular Formula]

C9H19N
[MDL Number]

MFCD00273385
[MOL File]

503-01-5.mol
[Molecular Weight]

141.256
Chemical PropertiesBack Directory
[Boiling point ]

bp 176-178°; bp7 58-59°
[density ]

0.795
[vapor pressure ]

1.39hPa at 25℃
[refractive index ]

nD15 1.4472
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Oil
[pka]

10.78±0.10(Predicted)
[color ]

Colourless to Pale Yellow
[Water Solubility ]

3.06g/L at 25℃
[LogP]

3.03 at 20℃
[EPA Substance Registry System]

5-Hepten-2-amine, N,6-dimethyl- (503-01-5)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

6-Methyl-5-hepten-2-one-->Methylamine
Safety DataBack Directory
[TSCA ]

TSCA listed
Hazard InformationBack Directory
[Chemical Properties]

Colorless oily liquid. Boiling point 176-178°C, 58-59°C (0.93 kPa). Relative density 0.795; refractive index 1.4472 (15°C). Easily soluble in ethanol, ether, acetone, and chloroform, but practically insoluble in water. Strongly alkaline and evaporates with water vapor. Has an ammonia odor.
[Originator]

Octinum,Knoll,US,1948
[Uses]

6-Methylamino-2-methylheptene is an intermediate for the synthesis of Isometheptene Maleate (I821325), which belongs to a group of sympathomimetic amine and shows very little antihypertensive activity. Isometheptene Maleate is used as an antispasmodic drug.
[Uses]

ctin (Knoll).
[Definition]

ChEBI: Isometheptene is a secondary amino compound.
[Manufacturing Process]

Methyl heptenone dissolved in 75% alcohol is reduced with activated aluminum in the presence of methylamine to give isometheptene.
[Therapeutic Function]

Muscle relaxant
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