Dibenamine hydrochloride (HCID 5925)

名称と識別子

優先名称: Dibenamine hydrochloride
IUPAC: N,N-dibenzyl-2-chloroethanamine;hydrochloride
現地名: N-(2-クロロエチル)ジベンジルアミン塩酸塩
英語名: N-(2-CHLOROETHYL)DIBENZYLAMINE HYDROCHLORIDE
分子式: C16H19Cl2N
分子量: 296.23

名称と別名

55-43-6Dibenamine hydrochlorideN-(2-Chloroethyl)dibenzylamine hydrochlorideDibenzylchlorethamine hydrochlorideN,N-Dibenzyl-2-chloroethylamine hydrochlorideDibenamine HClN,N-Dibenzylaminoethyl chloride hydrochlorideDibenzylchlorethylamine hydrochloride2-Chloroethyldibenzylamine hydrochlorideDibenzyl(2-chloroethyl)ammonium chloride2-Dibenzylaminoethyl chloride hydrochlorideEINECS 200-234-5

名称をさらに表示

N-(2-クロロエチル)ジベンジルアミン塩酸塩シンパトリチン塩酸塩N-(2-クロロエチル)-N-(フェニルメチル)ベンゼンメタンアミン·塩酸塩N-(2-クロロエチル)ジベンジルアミン·塩酸塩塩酸ジベナミンジベナミン塩酸塩N-(2-クロロエチル)ジベンジルアミン塩酸塩N,N-ジベンジル-2-クロロエチルアミン塩酸塩N,N-ジベンジルアミノエチルクロリド塩酸塩N,N-ジベンジル-2-クロロエタンアミン塩酸塩N-(2-クロロエチル)-N-(フェニルメチル)ベンゼンメタンアミン・塩酸塩N-(2-クロロエチル)ジベンジルアミン・塩酸塩Sympatholytin hydrochlorideN-(2-CHLOROETHYL)DIBENZYLAMINE HCLn,n-dibenzyl-2-chloroethylamineHCldibenzylchlorethylaminehydrochlorideDibenamine hydrochloride, 10 mM in DMSOn-(2-chloroethyl)-dibenzylaminhydrochlorideN,N-DIBENZYLAMINOETHYLCHLORIDE HYDROCHLORIDE

NSC 11491beta-Chloroethyldibenzylamine hydrochlorideBenzenemethanamine, N-(2-chloroethyl)-N-(phenylmethyl)-, hydrochlorideDIBENZYLAMINE, N-(2-CHLOROETHYL)-, HYDROCHLORIDEN,N-Dibenzyl-beta-chloroethylamine hydrochlorideNSC-11491W65S0F7870(2-Chloroethyl)dibenzylamine hydrochloride

データベース識別子

CAS: 55-43-6
PubChem CID: 5925
DTXSID: DTXSID3075337
ChEMBL: CHEMBL3272451
UNII: W65S0F7870
EC Number: 200-234-5

物性

構造計算による物性

極性表面積: 3.2 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 6
重原子数: 19
形式電荷: 0
複雑度: 187

物理化学的性質

融点: 190 · 190-193 °C(lit.)
沸点: 449.72 °C · 449.72°C (rough estimate)
比重(密度): 1.1507 · 1.1507 (rough estimate)
屈折率: 1.63 · 1.6300 (estimate)
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: almost transparency in Methanol
外見: 結晶性粉末
色: ホワイトからオフホワイト
Merck: 14 · 14,2138
InChI: 1S/C16H18ClN.ClH/c17-11-12-18(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16;/h1-10H,11-14H2;1H
InChIKey: LZXCEBPGNFLHEQ-UHFFFAOYSA-N
SMILES: Cl.ClCCN(Cc1ccccc1)Cc2ccccc2
CAS データベース: 55 · 55-43-6(CAS DataBase Reference)
EPAの化学物質情報: N-(2-Chloroethyl)dibenzylamine hydrochloride (55-43-6)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.5%)

安全データ

wgk: 3
rtecs: HQ6825000
毒性: LD50 s.c. in mice: 800 mg/kg (Nickerson, Nomaguchi)
hs_code: 29214900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
hazard_class: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 2 件

使用Sympatholytin was used as 5-Hydroxytryptamine antagonists in this study.Sympatholytin preferentially blocked postsynaptic alpha receptors.

一般的な説明N-(2-Chloroethyl)dibenzylamine hydrochloride is also referred as dibenamine. Mechanism of protection against carbon tetrachloride-induced hepatotoxicity produced by pretreatment with [N-(2-chloroethyl) dibenzylamine] hydrochloride has been investigated. It is a powerful adrenergic blocking agent, is known to modify the pharmacological effects of epinephrine.