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63-56-9

Basic Information
CAS No.: 63-56-9
Name: thonzylamine hydrochloride
Molecular Structure:
Molecular Structure of 63-56-9 (thonzylamine hydrochloride)
Formula: C16H22 N4 O . Cl H
Molecular Weight: 322.88
Synonyms: 1,2-Ethanediamine,N-[(4-methoxyphenyl)methyl]-N',N'-dimethyl-N-2-pyrimidinyl-, monohydrochloride(9CI); Pyrimidine, 2-[[2-(dimethylamino)ethyl](p-methoxybenzyl)amino]-,hydrochloride (7CI); Pyrimidine,2-[[2-(dimethylamino)ethyl](p-methoxybenzyl)amino]-, monohydrochloride (8CI);2-[(2-Dimethylaminoethyl)(p-methoxybenzyl)amino]pyrimidine hydrochloride;Anahist; N,N-Dimethyl-N'-(p-methoxybenzyl)-N'-(2-pyrimidyl)ethylenediaminehydrochloride; N-p-Methoxybenzyl-N',N'-dimethyl-N-2-pyrimidinylethylene diaminehydrochloride; NH 188; Neohetramine hydrochloride; Resistab; Super Anahist;Thonzylamine hydrochloride; Thonzylaminium chloride; Tonamil
EINECS: 200-561-3
Density: 1.2562 (rough estimate)
Melting Point: 173 - 176 C
Boiling Point:
Vapour density:
Flash Point: 220.3ºC
Solubility: Toxicity data
"> substantial

Stability

    Stable. Incompatible with strong oxidizing agents.

Toxicology

    Toxicological data, other than that given below, not available.

    Toxicity data

Appearance: white crystalline powder
Hazard Symbols: Xn
Risk Codes: 20/21/22
Safety: Poison by ingestion, intravenous, and intraperitoneal routes. Used as an antihistamine. When heated to decomposition it emits very toxic fumes of HCl and NOx.
PSA: 41.49000
LogP: 2.85540
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Chemistry

 Molecule structure of Resistab (CAS NO.63-56-9) :

IUPAC Name: N-[(4-methoxyphenyl)methyl]-N',N'-dimethyl-N-pyrimidin-2-ylethane-1,2-diamine hydrochloride 
Molecular Weight: 322.83302 g/mol
Molecular Formula: C16H23ClN4O
Boiling Point: 440.6 °C at 760 mmHg 
Flash Point: 220.3 °C
Enthalpy of Vaporization: 69.78 kJ/mol
Vapour Pressure: 5.8E-08 mmHg at 25 °C
H-Bond Donor: 1
H-Bond Acceptor: 5
Rotatable Bond Count: 7
Exact Mass: 322.156039
MonoIsotopic Mass: 322.156039
Topological Polar Surface Area: 41.5
Heavy Atom Count: 22 
Complexity: 274
Canonical SMILES: CN(C)CCN(CC1=CC=C(C=C1)OC)C2=NC=CC=N2.Cl
InChI: InChI=1S/C16H22N4O.ClH/c1-19(2)11-12-20(16-17-9-4-10-18-16)13-14-5-7-15(21-3)8-6-14;/h4-10H,11-13H2,1-3H3;1H
InChIKey: HRYJPHOTGFERGT-UHFFFAOYSA-N
EINECS: 200-561-3

Toxicity Data With Reference

1.    

orl-mus LD50:245 mg/kg

    NIIRDN    “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),536.
2.    

ipr-mus LD50:110 mg/kg

    AIPTAK    Archives Internationales de Pharmacodynamie et de Therapie. 123 (1960),419.
3.    

orl-gpg LD50:493 mg/kg

    NIIRDN    “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),536.
4.    

ivn-gpg LD50:38,200 µg/kg

    AIPTAK    Archives Internationales de Pharmacodynamie et de Therapie. 113 (1958),313.

Safety Profile

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

Specification

 Resistab (CAS NO.63-56-9) is also called 2-((2-(Dimethylamino)ethyl)(p-methoxy-benzyl)amino)-pyrimidine hydrochloride ; 2-((2-(Dimethylamino)ethyl)(p-methoxybenzyl)amino)pyrimidine hydrochloride ; 2-{(2-(Dimethylamino)ethyl)(p-methoxybenzyl)amino}pyrimidine hydrochloride ; Anahist ; CCRIS 6277 ; N,N-Dimethyl-N'-(4-methoxybenzyl)-N'-(2-
pyrimidyl)ethylenediamine hydrochloride ; N-p-Methoxybenzyl-N',N'-dimethyl-N-2-pyrimidinylethylene diamine hydrochloride ; Neohetramine hydrochloride ; Novohetramin ; Super Anahist ; Thonzylamine HCl ; Thonzylamine hydrochloride ; Thonzylaminium chloride ; UNII-6K9YKD48Y4 . Resistab (CAS NO.63-56-9) is white crystalline powder with a faint odor. Resistab is water soluble. It behaves as a weak organic acid. The resulting solutions contain moderate concentrations of hydrogen ions and have pH's of less than 7.0. They react as acids to neutralize bases. These neutralizations generate heat, but less or far less than is generated by neutralization of inorganic acids, inorganic oxoacids, and carboxylic acid. They usually do not react as either oxidizing agents or reducing agents but such behavior is not impossible. Symptoms of exposure to Resistab may include drowsiness, lethargy, fatigue, hypnosis, coma, vertigo, ataxia, tinnitus, blurred vision, tremors, anxiety, insomnia, excitement, hallucinations, delirium, convulsions, dry mouth, anorexia, nausea, vomiting, abdominal distress, constipation, diarrhea, central nervous system depression, gastrointestinal reactions, respiratory arrest and circulatory collapse. Flash point data for Resistab are not available. It is probably combustible.