AG008TNP

118488-08-7 | 1-(Thiophen-3-yl)ethanamine

AG008TNP

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CAS Number	118488-08-7
Catalog Number	AG008TNP(AGN-PC-0PC1WG)
Chemical Name	1-(Thiophen-3-yl)ethanamine
IUPAC Name	1-thiophen-3-ylethanamine
InChI	InChI=1S/C6H9NS/c1-5(7)6-2-3-8-4-6/h2-5H,7H2,1H3
InChI Key	KXCGQPCMPZULFH-UHFFFAOYSA-N
MDL Number	MFCD08452688
Molecular Formula	C6H9NS
Molecular Weight	127.2074
SMILES	CC(N)C1=CSC=C1
Synonyms	1-(Thiophen-3-yl)ethanamine, 118488-08-7, 1-(3-thienyl)ethanamine, 1-(thiophen-3-yl)ethan-1-amine, 1-thiophen-3-ylethanamine, [1-(3-Thienyl)ethyl]amine, (S)-1-(Thiophen-3-yl)ethanamine, 163586-97-8, 1-Thien-3-ylethylamine, AC1Q2B9P, 1-(3-thiophenyl)ethanamine, SCHEMBL142218, [1-(Thien-3-yl)ethyl]amine, DTXSID20557980, KXCGQPCMPZULFH-UHFFFAOYSA-N, ALBB-021779, CS-D0194, (+/-)-1-thiophen-3-yl-ethylamine, 0073AD, 1-(3-Thienyl)ethanamine AldrichCPR, MFCD08452688, 1-(3-Thienyl)ethanamine, AldrichCPR, AKOS005215166, MCULE-6338347318, AB0071218, EN300-61890, Y-3900, A832261, C6H9NS, 2-(THIOPHEN-3-YL)ETHANAMINE, 59311-67-0,

Complexity	74.9
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	127.046g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	127.205g/mol
Monoisotopic Mass	127.046g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	54.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P301+P310
UN Code	UN 2811

Certificate of Analysis

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