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958-93-0

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Basic Information
CAS No.: 958-93-0
Name: thenyldiamine hydrochloride
Molecular Structure:
Molecular Structure of 958-93-0 (thenyldiamine hydrochloride)
Formula: C14H19N3S•ClH
Molecular Weight: 297.88
Density: 1.148g/cm3
Boiling Point: 392.4°Cat760mmHg
Flash Point: 191.1°C
Safety: Poison by ingestion, intraperitoneal, subcutaneous, intramuscular, and intravenous routes. When heated to decomposition it emits very toxic fumes of NOx, SOx, and HCl. Used as an antihistamine.
PSA: 47.61000
LogP: 3.51330
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  • 1,2-ETHANEDIAMINE,N,N-DIMETHYL-N'-PYRIDIN-2-YL-N'-(3-THIENYLMETHYL)- HCLCAS

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    1,2-ETHANEDIAMINE,N,N-DIMETHYL-N'-PYRIDIN-2-YL-N'-(3-THIENYLMETHYL)- HCLCAS

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Chemistry

Molecule structure of Thenyldiamine chloride (CAS NO.958-93-0) :

IUPAC Name: dimethyl-[2-[pyridin-2-yl(thiophen-3-ylmethyl)amino]ethyl]azanium chloride 
Molecular Weight: 297.8467 g/mol
Molecular Formula: C14H20ClN3S 
Melting Point: 169.5-170 °C
Boiling Point: 392.4 °C at 760 mmHg
Flash Point: 191.1 °C
Enthalpy of Vaporization: 64.21 kJ/mol
Vapour Pressure: 2.3E-06 mmHg at 25 °C
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 6
Exact Mass: 297.106646
MonoIsotopic Mass: 297.106646
Topological Polar Surface Area: 20.6
Heavy Atom Count: 19
Complexity: 235
Canonical SMILES: C[NH+](C)CCN(CC1=CSC=C1)C2=CC=CC=N2.[Cl-]
InChI: InChI=1S/C14H19N3S.ClH/c1-16(2)8-9-17(11-13-6-10-18-12-13)14-5-3-4-7-15-14;/h3-7,10,12H,8-9,11H2,1-2H3;1H
InChIKey: OQWLDKFPOJCKBX-UHFFFAOYSA-N
EINECS: 213-490-8

Uses

 Thenyldiamine chloride (CAS NO.958-93-0) is used as an antihistaminic.

Toxicity Data With Reference

1.    

orl-rat LD50:525 mg/kg

     29ZVAB    Handbook of Analytical Toxicology ,Sunshine, I., ed.,Cleveland, OH.: Chemical Rubber Co.,1969,113.
2.    

ivn-rat LD50:15 mg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 97 (1949),371.
3.    

orl-mus LD50:277 mg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 97 (1949),371.
4.    

ipr-mus LD50:55 mg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 97 (1949),371.
5.    

scu-mus LD50:36 mg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 97 (1949),371.
6.    

ivn-mus LD50:12,200 µg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 97 (1949),371.
7.    

orl-dog LD50:60 mg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 97 (1949),371.
8.    

ivn-dog LD50:10 mg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 97 (1949),371.
9.    

ims-dog LD50:12 mg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 97 (1949),371.
10.    

ivn-rbt LD50:12 mg/kg

   

Safety Profile

Poison by ingestion, intraperitoneal, subcutaneous, intramuscular, and intravenous routes. When heated to decomposition it emits very toxic fumes of NOx, SOx, and HCl. Used as an antihistamine.

Specification

 Thenyldiamine chloride (CAS NO.958-93-0) is also called Thenyldiamine hydrochloride ; 1,2-Ethanediamine, N,N-dimethyl-N'-2-pyridinyl-N'-(3-thienylmethyl)-, ; 1,2-Ethanediamine, N,N-dimethyl-N'-2-pyridinyl-N'-(3-thienylmethyl)-, monohydrochloride ; 2-((2-(Dimethylamino)ethyl)-3-thenyl-amino)-pyridine hydrochloride ; CCRIS 1967 ; Dethylandiamine ;
Pyridine, 2-((2-(dimethylamino)ethyl)-3-thenylamino)-, ; Thenfadil hydrochloride ; Thenyldiamine HCl ; UNII-7ZQC1892H9 ; WIN 2848, hydrochloride salt ; Pyridine, 2-((2-(dimethylamino)ethyl)-3-thenylamino)-, monohydrochloride . Thenyldiamine chloride (CAS NO.958-93-0) is white powder with a bitter taste. It is water soluble. Thenyldiamine chloride (CAS NO.958-93-0) is an acidic salt of an amine. Reacts as an acid to neutralize bases. May react with strong reducing agents to generate toxic flammable hydrogen sulfide. Reacts with strong bases to generate the free base. Fire Hazard Flash point data for Thenyldiamine chloride (CAS NO.958-93-0) are not available, but Thenyldiamine chloride is probably combustible.