503-01-5

503-01-5 structure

Name: isometheptene
Chemical Name: N,6-dimethylhept-5-en-2-amine
CAS Number: 503-01-5
Molecular Formula: C₉H₁₉N
Molecular Weight: 141.25400
Catalog: API Digestive system medication Gastrointestinal expectorant
Create Date: 2018-08-27 12:12:53
Modify Date: 2025-08-25 10:38:06

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

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

110-93-0

74-89-5

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 ;

110-93-0

593-51-1

503-01-5

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

50-00-0

22462-79-9

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 ;

110-93-0

503-01-5

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

Precursor 5
110-93-0 74-89-5 593-51-1 50-00-0
22462-79-9
DownStream 1
63958-97-4

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%

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