isometheptene

Modify Date: 2024-01-10 23:36:27

isometheptene Structure
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

 Names

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

 Chemical & Physical Properties

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

 Toxicological Information

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

 Safety Information

HS Code 2921199090

 Synthetic Route

~%

isometheptene Structure

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 ;

~%

isometheptene Structure

isometheptene

CAS#:503-01-5

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

~%

isometheptene Structure

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 ;

~%

isometheptene Structure

isometheptene

CAS#:503-01-5

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

 Customs

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%

 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