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Basic Information
CAS No.: 7084-07-3
Name: Methaphenilene
Molecular Structure:
Molecular Structure of 7084-07-3 (Methaphenilene)
Formula: C15H20N2S•ClH
Molecular Weight: 296.89
Synonyms: Diatrine hydrochloride;Ethylenediamine,N,N-dimethyl-N'-phenyl-N'-2-thenyl-,monohydrochloride;Enstamine;Diatrine;Enstamine hydrochloride;Diatrin;
Melting Point: 186-187°
Boiling Point: 377.4°C at 760 mmHg
Flash Point: 182°C
Safety: Poison by subcutaneous, intravenous, and intraperitoneal routes. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of SOx, NOx, and HCl. See also AMINES.
PSA: 34.72000
LogP: 4.11830
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Chemistry

Product Name: Diatrine hydrochloride (CAS NO.7084-07-3)


Molecular Formula: C15H20N2S•ClH
Molecular Weight: 296.89g/mol
Mol File: 7084-07-3.mol
Boiling point: 377.4 °C at 760 mmHg
Flash Point: 182 °C
Enthalpy of Vaporization: 62.51 kJ/mol
Vapour Pressure: 6.78E-06 mmHg at 25°C
H-Bond Donor: 1
H-Bond Acceptor: 2
Structure Descriptors of Diatrine hydrochloride (CAS NO.7084-07-3):
  IUPAC Name: N',N'-dimethyl-N-phenyl-N-(thiophen-2-ylmethyl)ethane-1,2-diaminehydrochloride
  Canonical SMILES: CN(C)CCN(CC1=CC=CS1)C2=CC=CC=C2.Cl
  InChI: InChI=1S/C15H20N2S.ClH/c1-16(2)10-11-17(13-15-9-6-12-18-15)14-7-4-3-5-8-14;/h3-9,12H,10-11,13H2,1-2H3;1H 
  InChIKey: FWYFIIQCOLEFQP-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 intravenous 30mg/kg (30mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 210, 1948.
guinea pig LD50 oral 900mg/kg (900mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 210, 1948.
guinea pig LD50 subcutaneous 140mg/kg (140mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 210, 1948.
mouse LD50 intraperitoneal 117mg/kg (117mg/kg)   "Merck Index; an Encyclopedia of Chemicals, Drugs, and Biologicals", 11th ed., Rahway, NJ 07065, Merck & Co., Inc. 1989Vol. 11, Pg. 939, 1989.
mouse LD50 intravenous 45mg/kg (45mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 210, 1948.
mouse LD50 oral 550mg/kg (550mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 210, 1948.
mouse LD50 subcutaneous 160mg/kg (160mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 210, 1948.
rabbit LD50 intravenous 30mg/kg (30mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: MUSCLE WEAKNESS		 Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 210, 1948.

Safety Profile

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

Specification

 Diatrine hydrochloride ,its CAS NO. is 7084-07-3,the synonyms is Diatrine ; Enstamine ; Insomin ; Methaphenilen hydrochloride ; Methaphenilene HCl ; NSC 516334 ; Nilistine ; UNII-DK0OIL461Z ; W 50 hydrochloride ; 1,2-Ethanediamine, N,N-dimethyl-N'-phenyl-N'-(2-thienylmethyl)-, monohydrochloride (9CI) ; Ethylenediamine, N,N-dimethyl-N'-phenyl-N'-2-thenyl-, monohydrochloride ; N,N-Dimethyl-N'-(alpha-thenyl)-N'-phenethylenediamine hydrochloride .