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Thonzylaminhydrochlorid

Thonzylamine Hydrochloride

HCID 6136
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Grundinformationen

CAS
63-56-9
Standard-SMILES
COc1ccc(CN(CCN(C)C)c2ncccn2)cc1.Cl
InChIKey
HRYJPHOTGFERGT-UHFFFAOYSA-N
Summenformel
C16H22N4O.ClH
Durchschnittliche Molmasse
322,83 g/mol
Monoisotopische Masse
322,1560391

Überblick

Thonzylamine hydrochloride is a white crystalline powder with a faint odor. pH: 5.1-5.7 (2 % aqueous solution). (NTP, 1992)

Namen und Bezeichner

Bevorzugter Name
Thonzylamine Hydrochloride
IUPAC
N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyrimidin-2-ylethane-1,2-diamine;hydrochloride
Lokaler Name
Thonzylaminhydrochlorid
Englischer Name
thonzylamine hydrochloride
Summenformel
C16H22N4O.ClH
Molmasse
322.84

Namen und Synonyme

THONZYLAMINE HYDROCHLORIDE63-56-9Thonzylamine HClAnahistNovohetraminResistabNeohetramine hydrochlorideThonzylaminium chlorideThonzylamine hydrochloride [USAN]CCRIS 6277DTXSID8026147EINECS 200-561-3
Weitere Namen anzeigen
Thonzylamine HCl 98%Thonzilamine hydrochloridethonzylamine hydrochloride ISO 9001:2015 REACH
NH 188NSC-7583886K9YKD48Y42-((2-(Dimethylamino)ethyl)(p-methoxybenzyl)amino)pyrimidine hydrochloride2-[(2-dimethylaminoethyl)(p-methoxybenzyl)amino]pyrimidine hydrochlorideDTXCID8061472-((2-(Dimethylamino)ethyl)(p-methoxy-benzyl)amino)-pyrimidine hydrochlorideN,N-Dimethyl-N'-(4-methoxybenzyl)-N'-(2-pyrimidyl)ethylenediamine hydrochloride

Datenbank-Bezeichner

CAS
63-56-9
PubChem CID
6136
DTXSID
DTXSID8026147
ChEMBL
CHEMBL1529802
ChEBI

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA)
41,5 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
5
Frei drehbare Bindungen
7
Schwere Atome
22
Formalladung
0
Komplexität
273

Experimentelle und physikochemische Eigenschaften

SolubilityVery soluble (NTP, 1992)
Melting Point343 to 349 °F (NTP, 1992)
Physical DescriptionThonzylamine hydrochloride is a white crystalline powder with a faint odor. pH: 5.1-5.7 (2 % aqueous solution). (NTP, 1992)
Collision Cross Section167.3 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Physikochemische Eigenschaften

Schmelzpunkt
173 · 173-176°
Siedepunkt
2.2 · bp2.2 185-187°
Dichte
1.2562 · 1.2562 (rough estimate)
Brechungsindex
1.58 · 1.5800 (estimate)
Stabilität
Stable. Incompatible with strong oxidizing agents.
EPA chemische Informationen
Thonzylamine hydrochloride (63-56-9)

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P280, P301+P316, P302+P352, P317, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 1 Eintrag

1,2-Ethanediamine, N-[(4-methoxyphenyl)methyl]-N',N'-dimethyl-N-2-pyrimidinyl-, monohydrochloride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Other Safety InformationIMAP assessments - 1,2-Ethanediamine, N-[(4-methoxyphenyl)methyl]-N',N'-dimethyl-N-2-pyrimidinyl-, monohydrochloride: Environment tier I assessment
Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Health Hazards · 1 Eintrag

SYMPTOMS: Symptoms of exposure to this compound 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. (NTP, 1992)

Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile · 1 Eintrag

Chemie und Industrie

Anwendungen

VerwendenMedicine (antihistamine).

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

NatriumamidN,N-Dimethylaminoethyl chloridep-Anisyl(2-pyridyl)amin

Anbieter30 Anbieter

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Auf dieser SeiteGrundinformationenÜberblickNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
CHEBI:32219
UNII
6K9YKD48Y4
EC Number
200-561-3

THONZYLAMINE HYDROCHLORIDE behaves as a weak organic acid. Materials in this group are generally soluble in water. 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.

Air and Water ReactionsWater soluble.
Hazard Classes and CategoriesAcute Tox. 3 (100%)

Sicherheit und Schutzausrüstung

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 Eintrag

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 Eintrag

SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE) · 1 Eintrag

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

Sicherheitsdaten

risk_code
20/21/22
Toxizität
LD50 orally in guinea pigs: 493 mg (base)/kg (Reinhard, Seudi)
hazard_code
Xn
safety_code
36
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