Benzo(b)thiophene-3-ethylamine, hydrochloride

HCID 209554CAS 19985-71-8

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Grundinformationen

Standard-SMILES: Cl.NCCc1csc2ccccc12
InChIKey: PVEKDTORMRYTRT-UHFFFAOYSA-N
Summenformel: C10H12ClNS
Durchschnittliche Molmasse: 213,73 g/mol
Monoisotopische Masse: 213,0378983

Namen und Bezeichner

Bevorzugter Name: Benzo(b)thiophene-3-ethylamine, hydrochloride
IUPAC: 2-(1-benzothiophen-3-yl)ethanamine;hydrochloride

Namen und Synonyme

19985-71-8Benzo(b)thiophene-3-ethylamine, hydrochlorideDTXSID40173782RefChem:326248DTXCID00962732-(1-benzothiophen-3-yl)ethan-1-amine hydrochloride2-(benzo[b]thiophen-3-yl)ethanamine hydrochlorideBenzo[b]thiophene-3-ethanamine, hydrochloride (1:1)2-(1-benzothiophen-3-yl)ethanamine;hydrochlorideSCHEMBL2967756PVEKDTORMRYTRT-UHFFFAOYSA-NMFCD00152231

Weitere Namen anzeigen

AKOS026743450SY178161EN300-430852-(1-Benzothien-3-yl)ethanamine hydrochloride2-(benzo[b]thien-3-yl)ethylamine hydrochlorideG591262-(benzo[b]thiophen-3-yl)ethanaminehydrochloride3-[2-aminoethyl)benzo[b]thiophene hydrochloride

Datenbank-Bezeichner

CAS: 19985-71-8
PubChem CID: 209554
DTXSID: DTXSID40173782
EC Number: 631-556-8

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 54,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 13
Formalladung: 0
Komplexität: 149

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 (100%): 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 39 reports by companies from 2 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.