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Thenylpyramine

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Name Thenylpyramine EINECS
CAS No. 91-80-5 Density
Solubility Melting Point
Formula C14H19 N3 S Boiling Point 173 - 175 C at 3 mm Hg
Molecular Weight 261.42 Flash Point
Transport Information Appearance colourless liquid
Safety Poison by ingestion, subcutaneous, intraperitoneal, and intravenous routes. Mutation data reported. When heated to decomposition it emits very toxic fumes of SOx and NOx. Used as an antihistamine. Risk Codes
Molecular Structure Molecular Structure of 91-80-5 (1,2-Ethanediamine,N1,N1-dimethyl-N2-2-pyridinyl-N2-(2-thienylmethyl)-) Hazard Symbols Toxic by ingestion, a carcinogen.
Synonyms

1,2-Ethanediamine,N,N-dimethyl-N'-2-pyridinyl-N'-(2-thienylmethyl)- (9CI); Pyridine, 2-[[2-(dimethylamino)ethyl]-2-thenylamino]-(8CI); 2-[[2-(Dimethylamino)ethyl]-2-thenylamino]pyridine; A 3322; AH 42;Dimethyl[2-[(pyridin-2-yl)[(thien-2-yl)methyl]amino]ethyl]amine; Histadryl;Lulamin; Metapyrilene; Methapyrilene; N,N-Dimethyl-N'-pyrid-2-yl-N'-2-thenylethylenediamine;N-(a-Pyridyl)-N-(a-thenyl)-N',N'-dimethylethylenediamine;Paradormalene; Pyrinistab; Pyrinistol; Rest-on; Restryl; Semikon; Sleepwell;Tenalin; Thenylene; Thenylpyramine; Thionylan

 

Chemistry

 Molecule structure of Thenylpyramine (CAS NO.91-80-5) :

IUPAC Name: N',N'-dimethyl-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine 
Molecular Weight: 261.38576 g/mol
Molecular Formula: C14H19N3S
Density: 1.148 g/cm3 
Boiling Point: 389.6 °C at 760 mmHg 
Flash Point: 189.4 °C
Index of Refraction: 1.612
Molar Refractivity: 79.14 cm3
Molar Volume: 227.6 cm3
Polarizability: 31.37×10-24 cm3
Surface Tension: 49.5 dyne/cm 
Enthalpy of Vaporization: 63.89 kJ/mol
Vapour Pressure: 2.82E-06 mmHg at 25 °C
XLogP3-AA: 2.6
H-Bond Acceptor: 3
Rotatable Bond Count: 6
Exact Mass: 261.129968
MonoIsotopic Mass: 261.129968
Topological Polar Surface Area: 19.4
Heavy Atom Count: 18
Complexity: 235
Canonical SMILES: CN(C)CCN(CC1=CC=CS1)C2=CC=CC=N2
InChI: InChI=1S/C14H19N3S/c1-16(2)9-10-17(12-13-6-5-11-18-13)14-7-3-4-8-15-14/h3-8,11H,9-10,12H2,1-2H3
InChIKey: HNJJXZKZRAWDPF-UHFFFAOYSA-N
EINECS: 202-099-8

Toxicity Data With Reference

1.    

dnd-esc 30 µmol/L

    MUREAV    Mutation Research. 89 (1981),95.
2.    

msc-mus:lym 100 mg/L

    ENMUDM    Environmental Mutagenesis. 5 (1983),420.
3.    

scu-rat LD50:150 mg/kg

    CRSBAW    Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. 144 (1950),887.
4.    

orl-mus LD50:182 mg/kg

    PSEBAA    Proceedings of the Society for Experimental Biology and Medicine. 80 (1952),458.
5.    

ipr-mus LD50:77 mg/kg

    JPETAB    Journal of Pharmacology and Experimental Therapeutics. 96 (1949),388.
6.    

ivn-mus LD50:20 mg/kg

    PSEBAA    Proceedings of the Society for Experimental Biology and Medicine. 80 (1952),458.
7.    

orl-gpg LD50:375 mg/kg

    PSEBAA    Proceedings of the Society for Experimental Biology and Medicine. 80 (1952),458.

Safety Profile

Poison by ingestion, subcutaneous, intraperitoneal, and intravenous routes. Mutation data reported. When heated to decomposition it emits very toxic fumes of SOx and NOx. Used as an antihistamine.
RIDADR: 1851
HazardClass: 6.1(b)
PackingGroup: III

Specification

 Thenylpyramine (CAS NO.91-80-5) is also called Methapyrilene ; 2-((2-(Dimethylamino)ethyl)-2-thenylamino)pyridine ;
5-22-08-00401 (Beilstein Handbook Reference) ; A 3322 ; AH-42 ; BRN 0220729 ; CCRIS 5429 ; HSDB 4163 ; Histadryl ; Histase ; Lulamin ; Metapirileno ; Metapyrilene ; Methapyrilene, (base) ; Methapyrilenum ; N,N-Dimethyl-N'-2-pyridinyl-N'-(2-thienylmethyl)-1,2-ethanediamine ; N,N-Dimethyl-N'-pyrid-2-yl-N'-2-thenylethylenediamine ; N-(alpha-Pyridyl)-N-(alpha-thenyl)-N',N'-dimethylethylenediamine ; NCI-C09018 ; NCI-C55550 ; Paradormalene ; Pyrinistab ; Pyrinistol ; RCRA waste number U155 ; Semikon ; Sleepwell ; Tenalin ; Tenalin base ; Thenylene ; Thenylene base ; Thionylan ; UNII-A01LX40298 . Thenylpyramine (CAS NO.91-80-5) isclear colorless liquid. It is an amine, organosulfide. Organosulfides are incompatible with acids, diazo and azo compounds, halocarbons, isocyanates, aldehydes, alkali metals, nitrides, hydrides, and other strong reducing agents. Reactions with these materials generate heat and in many cases hydrogen gas. Many of these compounds may liberate hydrogen sulfide upon decomposition or reaction with an acid. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides. 
Thenylpyramine (CAS NO.91-80-5) is highly toxic by ingestion. Fire Hazard Flash point data for Thenylpyramine (CAS NO.91-80-5) are not available, but Thenylpyramine (CAS NO.91-80-5) is probably combustible.

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