-
Name
isometheptene
- EINECS 207-959-6
- CAS No. 503-01-5
- Article Data9
- CAS DataBase
- Density 0.786g/cm3
- Solubility Practically insol in water. Freely sol in alc, ether, acetone, chloroform
- Melting Point
- Formula C9H19 N
- Boiling Point 177.5°Cat760mmHg
- Molecular Weight 141.257
- Flash Point 46.3°C
- Transport Information
- Appearance Colorless, oily liq
- Safety A poison by ingestion, intravenous, intraperitoneal, and subcutaneous routes. Can cause headache, nausea, and dizziness in humans. When heated to decomposition it emits toxic fumes of NOx.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 4-Hexenylamine,N,1,5-trimethyl- (6CI,7CI,8CI); 2-Methyl-6-methylamino-2-heptene;6-Methylamino-2-methylheptene; Isomethepten; Isometheptene; Isonyl; Octanil;Octin; Octine; Octinum; Octon
- PSA 12.03000
- LogP 2.73160
Isonyl Chemical Properties
Molecular Structure of Isonyl (CAS NO. 503-01-5):
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EINECS: 207-959-6
IUPAC Name: N,6-Dimethylhept-5-en-2-amine
Molecular Formula: C9H19N
Molecular Weight: 141.253860 g/mol
XLogP3-AA: 2.5
H-Bond Donor: 1
H-Bond Acceptor: 1
Canonical SMILES: CC(CCC=C(C)C)NC
InChI: InChI=1S/C9H19N/c1-8(2)6-5-7-9(3)10-4/h6,9-10H,5,7H2,1-4H3
InChIKey: XVQUOJBERHHONY-UHFFFAOYSA-N
Index of Refraction: 1.438
Molar Refractivity: 47.19 cm3
Molar Volume: 179.7 cm3
Surface Tension: 24.2 dyne/cm
Density: 0.786 g/cm3
Flash Point: 46.3 °C
Enthalpy of Vaporization: 41.38 kJ/mol
Boiling Point: 177.5 °C at 760 mmHg
Vapour Pressure: 1.04 mmHg at 25 °C
BRN of Isonyl (CAS NO. 503-01-5): 1742093
Isonyl Toxicity Data With Reference
| 1. | orl-mus LD50:134 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 116 (1956),377. | ||
| 2. | ipr-mus LD50:42 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 116 (1956),377. | ||
| 3. | scu-mus LD50:100 mg/kg | FDMU** Zur Pharmakologie des Octins, Adolf Fiegenbaum Dissertation .(Pharmakologischen Institut der Westfalischen Wilhelms-Universitat,Munster, Germany.: 1935,) | ||
| 4. | ivn-rbt LDLo:50 mg/kg | FDMU** Zur Pharmakologie des Octins, Adolf Fiegenbaum Dissertation .(Pharmakologischen Institut der Westfalischen Wilhelms-Universitat,Munster, Germany.: 1935,) |
Isonyl Consensus Reports
Reported in EPA TSCA Inventory.
Isonyl Safety Profile
A poison by ingestion, intravenous, intraperitoneal, and subcutaneous routes. Can cause headache, nausea, and dizziness in humans. When heated to decomposition it emits toxic fumes of NOx.
Isonyl Specification
Isonyl with cas registry number of 503-01-5 is also known as 2-Methyl-6-methylamino-2-heptene ; 3-04-00-00467 (Beilstein Handbook Reference) ; 6-Methylamino-2-methylheptene ; 4-Hexenylamine, N,1,5-trimethyl- ; 5-Hepten-2-amine, N,6-dimethyl- ; Isometepteno ; Isometepteno [INN-Spanish] ; Isometheptenum ; Isometheptenum [INN-Latin] ; Isometheptene ; Isometheptene [INN:BAN] ; Methylisooctenylamine ; Methyloctenylamine ; N,1,5-Trimethyl-4-hexenylamine ; N,6-Dimethyl-5-hepten-2-amine ; Octanil ; Octin ; Octinum ; Octon ; UNII-Y7L24THH6T . It is colorless oily liquid with ammonia smell, soluble in ethanol, ethyl ether, acetone and chloroform . It is a strong alkaline and can be volatile with steam.
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