AG003HOC

93-68-5 | 2'-Methylacetoacetanilide (AAOT)

AG003HOC

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CAS Number	93-68-5
Catalog Number	AG003HOC(AGN-PC-0WA6Z0)
Chemical Name	2'-Methylacetoacetanilide (AAOT)
EC Number	202-267-0
IUPAC Name	N-(2-methylphenyl)-3-oxobutanamide
InChI	InChI=1S/C11H13NO2/c1-8-5-3-4-6-10(8)12-11(14)7-9(2)13/h3-6H,7H2,1-2H3,(H,12,14)
InChI Key	TVZIWRMELPWPPR-UHFFFAOYSA-N
MDL Number	MFCD00008782
Molecular Formula	C11H13NO2
Molecular Weight	191.2264
NSC Number	7655
SMILES	CC(CC(NC1=CC=CC=C1C)=O)=O
UNII	MCN1GV8J3R
Synonyms	2'-Methylacetoacetanilide, 93-68-5, N-(2-Methylphenyl)-3-oxobutanamide, N-Acetoacetyl-o-toluidine, O-Acetoacetotoluidide, 3-Oxo-N-(o-tolyl)butanamide, Acetoacet-o-toluidide, Acetoacet-o-toluidine, 2-Acetoacetylaminotoluene, Butanamide, N-(2-methylphenyl)-3-oxo-, Acetoacetyl-2-methylanilide, 2-Acetoacetotoluidide, UNII-MCN1GV8J3R, NSC 7655, CCRIS 7750, Acetoaceto-ortho-toluidide, EINECS 202-267-0, MCN1GV8J3R, BRN 2099098, AI3-08708, TVZIWRMELPWPPR-UHFFFAOYSA-N, DSSTox_CID_6562, DSSTox_RID_78151, DSSTox_GSID_26562, CAS-93-68-5, Acetoacet-ortho-toluidide, NSC7655, AAOT, Acetoacet o-toluidide, ACMC-209rmz, Acetoacet ortho Toludide, ortho-Acetoacetotoluidide, N-Acetoacetyl o-toluidide, 2\'-Methylacetoacetanilide, 3-oxo-N-o-tolylbutanamide, EC 202-267-0, AC1L1O4S, AC1Q1K2A, AC1Q5NM3, WLN: 1V1VMR B, o-Acetoacetotoluidide, 98%, 4-12-00-01777 (Beilstein Handbook Reference), KSC490G7R, N-Acetoacetyl-2-methylaniline, SCHEMBL382223, ARONIS007506, N-(o-tolyl)-3-oxo-butanamide, CHEMBL1893178, DTXSID3026562, CTK3J0378, ZINC439455, KS-00000WY1, KS-00003ZK9, NSC-7655, Tox21_201308, Tox21_303146, ANW-40089, HTS000793, MFCD00008782, STK400317, AKOS000120625, BS-4052, MCULE-5582017112, N-(2-Methylphenyl)-3-oxobutanamide #, NE10610, TRA0028653, NCGC00164200-01, NCGC00164200-02, NCGC00256990-01, NCGC00258860-01, AJ-22875, AN-24269, K705, LS-13066, ZB014074, DB-057420, TC-128834, FT-0610937, ST24028607, ST45044261, BUTANAMIDE, N-(2-METHYLPHENYL)-3-OXO, I01-6413, W-100233, F1723-0105, 2'-Methylacetoacetanilide C11H13NO2 191.23 1.062 104-106 degrees 143 degrees (289 degrees F) 93-68-5 202-267-0 MFCD00008782 AK6550000 Y, InChI=1/C11H13NO2/c1-8-5-3-4-6-10(8)12-11(14)7-9(2)13/h3-6H,7H2,1-2H3,(H,12,14, 2-Methylacetoacetanilide, 2'-methylacetoacetanilid, ACETOACET-O-TOLUITIDE, C11H13NO2, CID7154, AR-1J8128, C11-H13-N-O2, A1020, 2'-Methylacetoacetanilide, 99% - 500G 500g, 5593-10-2, 99465-99-3,

Complexity	225
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	191.095g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	191.23g/mol
Monoisotopic Mass	191.095g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	46.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P264-P270-P301+P312+P330-P501
UN Code

Certificate of Analysis

Lot Number