AG000SJV

126312-03-6 | 2-(Benzo[b]thiophen-2-yl)ethanamine

AG000SJV

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CAS Number	126312-03-6
Catalog Number	AG000SJV(AGN-PC-0NJTHU)
Chemical Name	2-(Benzo[b]thiophen-2-yl)ethanamine
IUPAC Name	2-(1-benzothiophen-2-yl)ethanamine
InChI	InChI=1S/C10H11NS/c11-6-5-9-7-8-3-1-2-4-10(8)12-9/h1-4,7H,5-6,11H2
InChI Key	CXXDPBZCQSWJEZ-UHFFFAOYSA-N
MDL Number	MFCD08060716
Molecular Formula	C10H11NS
Molecular Weight	177.2660
SMILES	NCCC1=CC2=CC=CC=C2S1
Synonyms	126312-03-6, 2-(benzo[b]thiophen-2-yl)ethanamine, Benzo[b]thiophene-2-ethanamine, 2-Benzo[b]thiophen-2-yl-ethylamine, 2-(1-benzothiophen-2-yl)ethan-1-amine, SCHEMBL4889443, CXXDPBZCQSWJEZ-UHFFFAOYSA-N, ALBB-015186, 2-(1-benzothiophen-2-yl)ethanamine, STL429935, ZINC22863554, AKOS005174973, 2-(1-benzothien-2-yl)ethanamine hydrochloride, 2-(benzothiophen-2-yl)ethanamine,

Complexity	149
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	177.061g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	177.265g/mol
Monoisotopic Mass	177.061g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	54.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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