Benzo(b)thiophene-3-ethylamine, hydrochloride

HCID 209554CAS 19985-71-8

Substructure search Find similar structures

Basic information

Standard SMILES: Cl.NCCc1csc2ccccc12
InChIKey: PVEKDTORMRYTRT-UHFFFAOYSA-N
Molecular formula: C10H12ClNS
Average molar mass: 213.73 g/mol
Monoisotopic mass: 213.0378983

Names & identifiers

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

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

Topological polar surface area: 54.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 149

Safety & regulation

GHS classification

GHS Classification · 5 items

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.