isometheptene

Names

[ CAS No. ]:
503-01-5

[ Name ]:
isometheptene

[Synonym ]:
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

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

Precursor & DownStream

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%


Related Compounds