Product Name

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  • Name

    Ohton hydrochloride

  • EINECS
  • CAS No. 5786-77-6
  • Density g/cm3
  • Solubility
  • Melting Point 168-169 °C
  • Formula C14H17NS2•ClH
  • Boiling Point 371.8°Cat760mmHg
  • Molecular Weight 299.90
  • Flash Point 178.6°C
  • Transport Information
  • Appearance
  • Safety Poison by ingestion, intravenous, and subcutaneous routes. When heated to decomposition it emits very toxic fumes of NOx, SOx, and HCl. See also ALLYL COMPOUNDS and AMINES.
  • Risk Codes
  • Molecular Structure Molecular Structure of 5786-77-6 (Ohton hydrochloride)
  • Hazard Symbols
  • Synonyms 4,4-dithiophen-2-ylbut-3-en-2-yl(dimethyl)azanium,chloride;
  • PSA 59.72000
  • LogP 4.99340

3,3-Di-2-thienyl-N,N,1-trimethylallylamine hydrochloride Chemical Properties

IUPAC Name: 4,4-dithiophen-2-ylbut-3-en-2-yl(dimethyl)azanium chloride 
Empirical Formula: C14H18ClNS2
Molecular Weight: 299.8824g/mol 
H-Bond Donor: 1
H-Bond Acceptor: 1
Rotatable Bond Count: 4
Exact Mass: 299.056919
MonoIsotopic Mass: 299.056919
Topological Polar Surface Area: 4.4
Heavy Atom Count: 18
Formal Charge: 0
Complexity: 257
Flash Point: 178.6 °C
Enthalpy of Vaporization: 61.88 kJ/mol
Boiling Point: 371.8 °C at 760 mmHg
Vapour Pressure: 1.01E-05 mmHg at 25°C
Canonical SMILES: CC(C=C(C1=CC=CS1)C2=CC=CS2)[NH+](C)C.[Cl-]
InChI: InChI=1S/C14H17NS2.ClH/c1-11(15(2)3)10-12(13-6-4-8-16-13)14-7-5-9-17-14;/h4-11H,1-3H3;1H
InChIKey: OBFGNODOJKVYIR-UHFFFAOYSA-N
Structure of 3,3-Di-2-thienyl-N,N,1-trimethylallylamine hydrochloride (CAS NO.5786-77-6):

3,3-Di-2-thienyl-N,N,1-trimethylallylamine hydrochloride Toxicity Data With Reference

1.    

scu-rat LD50:170 mg/kg

     BJPCAL    British Journal of Pharmacology and Chemotherapy. 8 (1953),2.
2.    

orl-mus LD50:199 mg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 107 (1953),385.
3.    

scu-mus LD50:100 mg/kg

     BJPCAL    British Journal of Pharmacology and Chemotherapy. 8 (1953),2.
4.    

ivn-mus LD50:16 mg/kg

     BJPCAL    British Journal of Pharmacology and Chemotherapy. 8 (1953),2.
5.    

ivn-dog LD50:23 mg/kg

     CPBTAL    Chemical and Pharmaceutical Bulletin. 7 (1959),372.

3,3-Di-2-thienyl-N,N,1-trimethylallylamine hydrochloride Safety Profile

Poison by ingestion, intravenous, and subcutaneous routes. When heated to decomposition it emits very toxic fumes of NOx, SOx, and HCl. See also ALLYL COMPOUNDS and AMINES.

3,3-Di-2-thienyl-N,N,1-trimethylallylamine hydrochloride Specification

  3,3-Di-2-thienyl-N,N,1-trimethylallylamine hydrochloride , its cas register number is 5786-77-6. It also can be called 
 Dimethylthiambutene HCl ; Dimethylthiambutene hydrochloride ; Ohton hydrochloride . When 3,3-Di-2-thienyl-N,N,1-trimethylallylamine hydrochloride (CAS NO.5786-77-6) is heated to decomposition, it emits very toxic fumes of NOx, SOx, and HCl.

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