AG005NDU

79023-51-1 | Isoquinoline, 3,4-dihydro-1,3,3-trimethyl-

AG005NDU

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CAS Number	79023-51-1
Catalog Number	AG005NDU(AGN-PC-0JTGYP)
Chemical Name	Isoquinoline, 3,4-dihydro-1,3,3-trimethyl-
IUPAC Name	1,3,3-trimethyl-4H-isoquinoline
InChI	InChI=1S/C12H15N/c1-9-11-7-5-4-6-10(11)8-12(2,3)13-9/h4-7H,8H2,1-3H3
InChI Key	HFNOAVXTUXLYNM-UHFFFAOYSA-N
MDL Number	MFCD00608546
Molecular Formula	C12H15N
Molecular Weight	173.2542
SMILES	CC1(C)N=C(C)C2=C(C=CC=C2)C1
Synonyms	1,3,3-Trimethyl-3,4-dihydroisoquinoline, 79023-51-1, HFNOAVXTUXLYNM-UHFFFAOYSA-N, Isoquinoline, 3,4-dihydro-1,3,3-trimethyl-, 1,3,3-trimethyl-4H-isoquinoline, AC1LC4F3, SCHEMBL4847090, CHEMBL1622457, CTK2G4634, DTXSID00344057, HMS1675F16, ZINC1808707, MFCD00608546, STK791085, AKOS000568479, 1,3,3-trimethyl-3,4-dihydroisoquinolin, BAS 02098087, ST092471, 3,4-Dihydro-1,3,3-trimethylisoquinoline, 1,3,3-Trimethyl-3,4-dihydroisoquinoline #, CS-0045321, SR-01000396533, SR-01000396533-1, A0653/0030357, CID594161, ZINC01808707, 1,3,3-Trimethyl-3,4-dihydro-isoquinoline, T3060,

Complexity	227
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	173.12g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	173.259g/mol
Monoisotopic Mass	173.12g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	12.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number