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4024-34-4

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Basic Information
CAS No.: 4024-34-4
Name: 2-[(p-methyl-alpha-phenylbenzyl)oxy]ethyl(dimethyl)ammonium chloride
Article Data: 1
Molecular Structure:
Molecular Structure of 4024-34-4 (2-[(p-methyl-alpha-phenylbenzyl)oxy]ethyl(dimethyl)ammonium chloride)
Formula: C18H23NO•ClH
Molecular Weight: 305.848
Synonyms: 4-Methyl-benzhydryl-(2-dimethylamino-ethyl)-ether;(+-)-dimethyl-[2-(-4-methyl-benzhydryloxy)-ethyl]-amine,hydrochloride;Neo-benodine;2-[(4-methylphenyl)phenylmethoxy]-N,N-dimethylethanamine hydrochloride;Toladryl;Toladryl hydrochloride;EINECS 223-691-2;(+-)-Dimethyl-[2-(-4-methyl-benzhydryloxy)-aethyl]-amin,Hydrochlorid;dimethyl{2-[(4-methylphenyl)(phenyl)methoxy]ethyl}ammonium chloride;
Melting Point: 150-152 °C(Solv: acetone (67-64-1))
Boiling Point: 362.5oC at 760mmHg
Flash Point: 107oC
Safety: Poison by ingestion, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx and HCl.
PSA: 12.47000
LogP: 4.46460
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Chemistry

Product Name: Toladryl (CAS NO.4024-34-4)


Molecular Formula: C18H24ClNO
Molecular Weight: 305.84226g/mol
Mol File: 4024-34-4.mol
Boiling point:  362.5 °C at 760 mmHg 
Flash Point: 107 °C
Enthalpy of Vaporization: 60.84 kJ/mol
Vapour Pressure: 1.93E-05 mmHg at 25°C
H-Bond Donor: 1
H-Bond Acceptor: 2
Structure Descriptors of Toladryl (CAS NO.4024-34-4):
  IUPAC Name: dimethyl-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]azanium chloride
  Canonical SMILES: CC1=CC=C(C=C1)C(C2=CC=CC=C2)OCC[NH+](C)C.[Cl-]
  InChI: InChI=1S/C18H23NO.ClH/c1-15-9-11-17(12-10-15)18(20-14-13-19(2)3)16-7-5-4-6-8-16;/h4-12,18H,13-14H2,1-3H3;1H 
  InChIKey: BNFDLGUZDIWYJK-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: EXCITEMENT		 Journal of Pharmacology and Experimental Therapeutics. Vol. 112, Pg. 318, 1954.
mouse LD50 intravenous 45mg/kg (45mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 14, Pg. 964, 1964.
mouse LD50 oral 350mg/kg (350mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 14, Pg. 964, 1964.
mouse LDLo subcutaneous 325mg/kg (325mg/kg)   Cesko-Slovenska Farmacie. Vol. 3, Pg. 272, 1954.

Safety Profile

Poison by ingestion, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx and HCl.

Specification

 Toladryl ,its CAS NO. is 4024-34-4,the synonyms is EINECS 223-691-2 ; Ethylamine, N,N-dimethyl-2-((p-methyl-alpha-
phenylbenzyl)oxy)-, hydrochloride ; N,N-Dimethyl-2-((p-methyl-alpha-phenylbenzyl)oxy)ethylamine hydrochloride ; N,N-Dimethyl-2-(alpha-(p-tolyl)benzyloxy)ethylamine hydrochloride ; Neo-benodine ; Toladryl hydrochloride ; 2-((p-Methyl-alpha-phenylbenzyl)oxy)ethyl(dimethyl)ammonium chloride .