AG00C6LC

331001-62-8 | 2-[2-(4-Acetylphenyl)diazenyl]-2-(3,4-dihydro-3,3-dimethyl-1(2H)-isoquinolinylidene)acetamide

AG00C6LC

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CAS Number	331001-62-8
Catalog Number	AG00C6LC(AGN-PC-0KU9LA)
Chemical Name	2-[2-(4-Acetylphenyl)diazenyl]-2-(3,4-dihydro-3,3-dimethyl-1(2H)-isoquinolinylidene)acetamide
IUPAC Name	(2E)-2-[(4-acetylphenyl)hydrazinylidene]-2-(3,3-dimethyl-4H-isoquinolin-1-yl)acetamide
InChI	InChI=1S/C21H22N4O2/c1-13(26)14-8-10-16(11-9-14)24-25-19(20(22)27)18-17-7-5-4-6-15(17)12-21(2,3)23-18/h4-11,24H,12H2,1-3H3,(H2,22,27)/b25-19+
InChI Key	ALJIEVIJBAJISI-NCELDCMTSA-N
MDL Number	MFCD00354369
Molecular Formula	C21H22N4O2
Molecular Weight	362.4250
SMILES	O=C(N)C(/N=N/C1=CC=C(C(C)=O)C=C1)=C2NC(C)(C)CC3=C2C=CC=C3
Synonyms	IQ 1, 331001-62-8, IQ-1, 2-(4-Acetyl-phenylazo)-2-(3,3-dimethyl-3,4-dihydro-2H-isoquinolin-1-ylidene)-acetamide, MLS000559249, AC1NY3UK, SCHEMBL4063241, SCHEMBL4288743, CHEMBL3193709, SCHEMBL13808060, SCHEMBL17766341, IQ-?1, EX-A1152, MFCD00354369, s8248, AKOS000671812, AKOS030238786, MCULE-4912760082, BAS 00329634, SMR000174469, B7700, ST50223451, J-019026, (2E)-2-[(4-acetylphenyl)hydrazinylidene]-2-(3,3-dimethyl-4H-isoquinolin-1-yl)acetamide, 2-[(4-Acetylphenyl)azo]-2-(3,4-dihydro-3,3-dimethyl-1(2H)-isoquinolinylidene)acetamide, 2-[(4-acetylphenyl)diazenyl]-2-(3,3-dimethyl(2,3,4-trihydroisoquinolylidene))a cetamide, 2-[2-(4-Acetylphenyl)diazenyl]-2-(3,4-dihydro-3,3-dimethyl-1(2H)-isoquinolinylidene)-acetamide, Sis3 HCl, CID5823908, A16064, 2-[(4-Acetylphenyl)azo]-2-(3,4-dihydro-3,3-diMethyl-1(2H)- isoquinolinylidene)acetaMide, 2-[2-(4-Acetylphenyl)diazenyl]-2-(3,4-dihydro-3,3-dimethyl-1(2H)-isoquinolinylidene)acetamide,

Complexity	645
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	362.174g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	362.433g/mol
Monoisotopic Mass	362.174g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	96.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302
Packing Group	\N
Precautionary statements	P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

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