Product Name

  • Name

    (1,5-dimethylhex-4-enyl)methylammonium chloride

  • EINECS
  • CAS No. 6168-86-1
  • Density
  • Solubility
  • Melting Point 68-69°
  • Formula C9H19 N . Cl H
  • Boiling Point 177.5°C at 760 mmHg
  • Molecular Weight 177.75
  • Flash Point 46.4°C
  • Transport Information
  • Appearance
  • Safety Poison by intraperitoneal, intravenous, parenteral, and subcutaneous routes. An adrenergic agent. When heated to decomposition it emits very toxic fumes of Cl− and NOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 6168-86-1 ((1,5-dimethylhex-4-enyl)methylammonium chloride)
  • Hazard Symbols
  • Synonyms 4-Hexenylamine,N,1,5-trimethyl-, hydrochloride (6CI,8CI); 5-Hepten-2-amine, N,6-dimethyl-,hydrochloride (9CI); Isometheptene hydrochloride; NSC 13066
  • PSA 16.61000
  • LogP -1.68150

Isometheptene hydrochloride Chemical Properties

Product Name: Isometheptene hydrochloride (CAS NO.6168-86-1)


Molecular Formula: C9H20ClN
Molecular Weight: 177.7148g/mol
Mol File: 6168-86-1.mol
EINECS: 228-211-5
Boiling point: 177.5 °C at 760 mmHg
Flash Point: 46.4 °C
Enthalpy of Vaporization: 41.38 kJ/mol
Vapour Pressure: 1.04 mmHg at 25°C
H-Bond Donor: 2
H-Bond Acceptor: 1
Structure Descriptors of Isometheptene hydrochloride (CAS NO.6168-86-1):
  IUPAC Name: N,6-dimethylhept-5-en-2-amine hydrochloride
  Canonical SMILES: CC(CCC=C(C)C)NC.Cl
  InChI: InChI=1S/C9H19N.ClH/c1-8(2)6-5-7-9(3)10-4;/h6,9-10H,5,7H2,1-4H3;1H 
  InChIKey: AUERTJOCDMCUAL-UHFFFAOYSA-N

Isometheptene hydrochloride Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous 26mg/kg (26mg/kg) SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE

BEHAVIORAL: EXCITEMENT

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES		 Journal of Pharmacology and Experimental Therapeutics. Vol. 92, Pg. 214, 1948.
dog LD50 subcutaneous 76mg/kg (76mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 92, Pg. 214, 1948.
frog LDLo parenteral 200mg/kg (200mg/kg) BEHAVIORAL: EXCITEMENT

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION		 Quarterly Journal of Pharmacy & Pharmacology. Vol. 9, Pg. 647, 1936.
mouse LD50 intravenous 18mg/kg (18mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Journal of Pharmacology and Experimental Therapeutics. Vol. 92, Pg. 214, 1948.
mouse LD50 subcutaneous 171mg/kg (171mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 92, Pg. 214, 1948.
rabbit LD50 intravenous 18mg/kg (18mg/kg) BEHAVIORAL: EXCITEMENT

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)		 Journal of Pharmacology and Experimental Therapeutics. Vol. 92, Pg. 214, 1948.
rabbit LD50 subcutaneous 101mg/kg (101mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 92, Pg. 214, 1948.
rat LD50 intraperitoneal 70mg/kg (70mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: EXCITEMENT		 Journal of Pharmacology and Experimental Therapeutics. Vol. 81, Pg. 235, 1944.
rat LDLo subcutaneous 160mg/kg (160mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 71, Pg. 62, 1941.

Isometheptene hydrochloride Safety Profile

Poison by intraperitoneal, intravenous, parenteral, and subcutaneous routes. An adrenergic agent. When heated to decomposition it emits very toxic fumes of Cl− and NOx.

Isometheptene hydrochloride Specification

 Isometheptene hydrochloride , its CAS NO. is 6168-86-1, the synonyms are 2-Methylaminoisooctane hydrochloride ; EINECS 228-211-5 ; Isomethepdrine chloride ; Isometheptene HCl ; Methylamino-methylheptene hydrochloride ; NSC 13066 ; Octin ; UNII-9Z4CJC3O5F ; (1,5-Dimethylhex-4-enyl)methylammonium chloride ; 4-Hexenylamine, N,1,5-trimethyl-, hydrochloride ; 5-Hepten-2-amine, N,6-dimethyl-, hydrochloride (9CI) ; N,1,5-Trimethyl-4-hexenylamine hydrochloride .

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