Dibenzyl(2-chlorethyl)ammoniumchlorid

Dibenamine hydrochloride

HCID 5925CAS 55-43-6

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Grundinformationen

Standard-SMILES: Cl.ClCCN(Cc1ccccc1)Cc1ccccc1
InChIKey: LZXCEBPGNFLHEQ-UHFFFAOYSA-N
Summenformel: C16H19Cl2N
Durchschnittliche Molmasse: 296,2 g/mol
Monoisotopische Masse: 295,089455

Namen und Bezeichner

Bevorzugter Name: Dibenamine hydrochloride
IUPAC: N,N-dibenzyl-2-chloroethanamine;hydrochloride
Lokaler Name: Dibenzyl(2-chlorethyl)ammoniumchlorid
Englischer Name: N-(2-CHLOROETHYL)DIBENZYLAMINE HYDROCHLORIDE
Summenformel: C16H19Cl2N
Molmasse: 296.23

Namen und Synonyme

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

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 3,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 6
Schwere Atome: 19
Formalladung: 0
Komplexität: 187

Physikochemische Eigenschaften

Schmelzpunkt: 190 · 190-193 °C(lit.)
Siedepunkt: 449.72 °C · 449.72°C (rough estimate)
Dichte: 1.1507 · 1.1507 (rough estimate)
Brechungsindex: 1.63 · 1.6300 (estimate)
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: almost transparency in Methanol
Aggregatzustand: Crystalline Powder
Farbe: White to off-white
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 Datenbank: 55 · 55-43-6(CAS DataBase Reference)
EPA chemische Informationen: N-(2-Chloroethyl)dibenzylamine hydrochloride (55-43-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.

Gefahrenhinweise

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

Sicherheitsdaten

wgk: 3
hs_code: 29214900
RTECS-Nr.: HQ6825000
risk_code: 36/37/38
Toxizität: LD50 s.c. in mice: 800 mg/kg (Nickerson, Nomaguchi)
hazard_code: Xi
safety_code: 26-37/39
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

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