isometheptene

Modify Date: 2025-08-25 10:38:06

isometheptene structure	Common Name	isometheptene
	CAS Number	503-01-5	Molecular Weight	141.25400
	Density	0.786g/cm3	Boiling Point	177.5ºC at 760mmHg
	Molecular Formula	C₉H₁₉N	Melting Point	N/A
	MSDS	N/A	Flash Point	46.3ºC

Name	N,6-dimethylhept-5-en-2-amine
Synonym	More Synonyms

Density	0.786g/cm3
Boiling Point	177.5ºC at 760mmHg
Molecular Formula	C₉H₁₉N
Molecular Weight	141.25400
Flash Point	46.3ºC
Exact Mass	141.15200
PSA	12.03000
LogP	2.73160
Index of Refraction	1.438

CHEMICAL IDENTIFICATION

RTECS NUMBER :: MP9100000

CHEMICAL NAME :: 4-Hexenylamine, N,1,5-trimethyl-

CAS REGISTRY NUMBER :: 503-01-5

BEILSTEIN REFERENCE NO. :: 1742093

LAST UPDATED :: 199701

DATA ITEMS CITED :: 6

MOLECULAR FORMULA :: C9-H19-N

MOLECULAR WEIGHT :: 141.29

WISWESSER LINE NOTATION :: 1Y1&U3Y1&M1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 134 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 116,377,1956

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 42 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 116,377,1956

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 100 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold

REFERENCE :: FDMU** "Zur Pharmakologie des Octins, Dissertation," Fiegenbaum, A., Pharmakologischen Institut der Westfalischen Wilhelms-Universitat, Munster, Fed. Rep. Ger., 1935 Volume(issue)/page/year: -,-,1935

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 34 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 227,71,1955

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 50 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold

REFERENCE :: FDMU** "Zur Pharmakologie des Octins, Dissertation," Fiegenbaum, A., Pharmakologischen Institut der Westfalischen Wilhelms-Universitat, Munster, Fed. Rep. Ger., 1935 Volume(issue)/page/year: -,-,1935

HS Code	2921199090

6-Methylhept-5-...

CAS#:110-93-0

methylamine

CAS#:74-89-5

isometheptene

CAS#:503-01-5

Literature: Bilhuber Inc. Patent: AT134561 ; Full Text Show Details Bilhuber Inc. Patent: US1972450 , 1931 ; Full Text Show Details Knoll A.G. Patent: CH163535 , 1932 ; Full Text Show Details Knoll A.G. Patent: DE617536 , 1931 ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 21, p. 680,682 Full Text Show Details Knoll A.G. Patent: DE617879 , 1932 ;

6-Methylhept-5-...

CAS#:110-93-0

Methylamine hyd...

CAS#:593-51-1

isometheptene

CAS#:503-01-5

Literature: Taylor,W.G.; Coutts,R. Canadian Journal of Chemistry, 1979 , vol. 57, p. 2103 - 2107

Formaldehyde

CAS#:50-00-0

6-methylhept-5-...

CAS#:22462-79-9

isometheptene

CAS#:503-01-5

Literature: Knoll A.G. Patent: DE617596 , 1931 ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 21, p. 684 Full Text Show Details Knoll A.G. Patent: CH166214 , 1932 ;

6-Methylhept-5-...

CAS#:110-93-0

isometheptene

CAS#:503-01-5

Literature: Knoll A.G. Patent: DE617596 , 1931 ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 21, p. 684

Precursor 5
CAS#:110-93-0 6-Methylhept-5-... CAS#:74-89-5 methylamine CAS#:593-51-1 Methylamine hyd... CAS#:50-00-0 Formaldehyde
CAS#:22462-79-9 6-methylhept-5-...
DownStream 1
CAS#:63958-97-4 2-methyl-6-(met...

HS Code	2921199090
Summary	2921199090 other acyclic monoamines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Octinum

Methylisooctenylamine

N,6-dimethyl-5-hepten-2-amine

Octanil

Methyloctenylamine

Octon

4-Hexenylamine,N,1,5-trimethyl

Octin

Isometheptene

5-Hepten-2-amine,N,6-dimethyl

Isonyl

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isometheptene

Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Safety Information

Synthetic Route

Precursor & DownStream

Customs

Synonyms

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.