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塩酸トンジルアミン

Thonzylamine Hydrochloride

HCID 6136
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基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

CAS
63-56-9
標準SMILES
COc1ccc(CN(CCN(C)C)c2ncccn2)cc1.Cl
InChIKey
HRYJPHOTGFERGT-UHFFFAOYSA-N
分子式
C16H22N4O.ClH
平均分子量
322.83 g/mol
単同位体質量
322.1560391

概要

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

名称と識別子

優先名称
Thonzylamine Hydrochloride
IUPAC
N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyrimidin-2-ylethane-1,2-diamine;hydrochloride
現地名
塩酸トンジルアミン
英語名
thonzylamine hydrochloride
分子式
C16H22N4O.ClH
分子量
322.84

名称と別名

THONZYLAMINE HYDROCHLORIDE63-56-9Thonzylamine HClAnahistNovohetraminResistabNeohetramine hydrochlorideThonzylaminium chlorideThonzylamine hydrochloride [USAN]CCRIS 6277DTXSID8026147EINECS 200-561-3
名称をさらに表示
トンジルアミン塩酸塩アナヒストネオヘトラミン塩酸塩トンジラミン塩酸塩レシスタブN-[(4-メトキシフェニル)メチル]-N',N'-ジメチル-N-(2-ピリミジニル)-1,2-エタンジアミン·塩酸塩塩酸トンジルアミン塩酸トンジルアミン (JAN)N-[(4-メトキシフェニル)メチル]-N′,N′-ジメチル-N-(2-ピリミジニル)-1,2-エタンジアミン・塩酸塩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

データベース識別子

CAS
63-56-9
PubChem CID
6136
DTXSID
DTXSID8026147
ChEMBL
CHEMBL1529802
ChEBI
CHEBI:32219
UNII
6K9YKD48Y4
EC Number
200-561-3

物性

構造計算による物性

極性表面積
41.5 Ų
水素結合供与体数
1
水素結合受容体数
5
回転可能結合数
7
重原子数
22
形式電荷
0
複雑度
273

実験および物理化学的性質

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]

物理化学的性質

融点
173 · 173-176°
沸点
2.2 · bp2.2 185-187°
比重(密度)
1.2562 · 1.2562 (rough estimate)
屈折率
1.58 · 1.5800 (estimate)
安定性
安定。強力な酸化剤とは相容れない。
EPAの化学物質情報
Thonzylamine hydrochloride (63-56-9)

化学的性質

化学的特性White, crystalline powder; faint odor. Very soluble in water; freely soluble in alcohol and chloroform; practically insoluble in ether and benzene; pH 5.0–6.0 (2% solution).

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Regulatory Information · 1 件

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 件

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 件

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%)

安全と保護具

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

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 件

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 件

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)

安全データ

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

化学と産業

応用分野 · 2 件

使用Medicine (antihistamine).

一般的な説明Thonzylamine hydrochloride,2-[[2-(dimethylamino)-ethyl](p-methoxybenzyl)amino]pyrimidine hydrochloride, is a white crystallinepowder soluble in water (1:1), in alcohol (1:6), and in chloroform(1:4). A 2% aqueous solution has a pH of 5.5. It is similar in activity to tripelennamine but is claimed to be lesstoxic. The usual dose is 50 mg taken up to 4 times daily. Itis available in certain combination products.

上流・下流製品情報

上流原料

ナトリウムアミドN,N-Dimethylaminoethyl chlorideN-(p-メトキシベンジル)ピリジン-2-アミン

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