AG003KIV

88565-88-2 | 4,6,8-Trimethylquinoline

AG003KIV

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CAS Number	88565-88-2
Catalog Number	AG003KIV(AGN-PC-0WQUP3)
Chemical Name	4,6,8-Trimethylquinoline
IUPAC Name	4,6,8-trimethylquinoline
InChI	InChI=1S/C12H13N/c1-8-6-10(3)12-11(7-8)9(2)4-5-13-12/h4-7H,1-3H3
InChI Key	HNCYZWOTJQPKTQ-UHFFFAOYSA-N
MDL Number	MFCD00191505
Molecular Formula	C12H13N
Molecular Weight	171.2383
SMILES	CC1=C2N=CC=C(C)C2=CC(C)=C1
Synonyms	4,6,8-Trimethylquinoline, 88565-88-2, ACMC-209qui, Quinoline,4,6,8-trimethyl-, SCHEMBL4513038, CHEMBL2135849, CTK5G0775, DTXSID80659954, ANW-39064, MFCD00191505, ZINC37624948, AKOS015842639, NCGC00188239-01, AC-27932, TR-027836, FT-0692377, T1409,

Complexity	178
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	171.105g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	171.243g/mol
Monoisotopic Mass	171.105g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	12.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

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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