2-(1-Benzothiophen-2-yl)ethan-1-amine

HCID 12666893CAS 126312-03-6
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Basic information

Standard SMILES
NCCc1cc2ccccc2s1
InChIKey
CXXDPBZCQSWJEZ-UHFFFAOYSA-N
Molecular formula
C10H11NS
Average molar mass
177.27 g/mol

Names & identifiers

Preferred name
2-(1-Benzothiophen-2-yl)ethan-1-amine
IUPAC
2-(1-benzothiophen-2-yl)ethanamine

Names & synonyms

2-(1-benzothiophen-2-yl)ethan-1-amineRefChem:450847841-360-62-(benzo[b]thiophen-2-yl)ethanamineBenzo[b]thiophene-2-ethanamine2-(1-benzothiophen-2-yl)ethanamine2-Benzo[b]thiophen-2-yl-ethylamineMFCD080607162-(1-benzothien-2-yl)ethanamine hydrochloride2-(benzothiophen-2-yl)ethanamine2-(2-Benzothienyl)ethanamineSCHEMBL4889443
Show more names
CHEMBL4518683CXXDPBZCQSWJEZ-UHFFFAOYSA-NALBB-015186STL429935AKOS005174973EBC-610866BS-18918SY198817

Database identifiers

CAS
126312-03-6
PubChem CID
12666893
ChEMBL
CHEMBL4518683
EC Number
841-360-6

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
54.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
12

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Related reactions

3 records
New reaction record

Linked notes

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