AG003FU8

97-36-9 | N-(2,4-Dimethylphenyl)-3-oxobutyramide

AG003FU8

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CAS Number	97-36-9
Catalog Number	AG003FU8(AGN-PC-0JNBL3)
Chemical Name	N-(2,4-Dimethylphenyl)-3-oxobutyramide
EC Number	202-576-0
IUPAC Name	N-(2,4-dimethylphenyl)-3-oxobutanamide
InChI	InChI=1S/C12H15NO2/c1-8-4-5-11(9(2)6-8)13-12(15)7-10(3)14/h4-6H,7H2,1-3H3,(H,13,15)
InChI Key	HGVIAKXYAZRSEG-UHFFFAOYSA-N
MDL Number	MFCD00039836
Molecular Formula	C12H15NO2
Molecular Weight	205.2530
NSC Number	8398
RTECS Number	AK4585000
SMILES	CC(CC(NC1=CC=C(C)C=C1C)=O)=O
UNII	84GV04HEUG
Synonyms	97-36-9, N-(2,4-Dimethylphenyl)-3-oxobutanamide, 2',4'-Dimethylacetoacetanilide, Acetoacet-m-xylidide, Acetoaceto-m-xylidide, Acetoacetyl-m-xylidide, 2,4-Acetoacetxylidide, 2,4-Acetoacetoxylidide, Acetoacetic acid m-xylidide, N-Acetoacetyl-2,4-xylidine, Butanamide, N-(2,4-dimethylphenyl)-3-oxo-, 1-Acetoacetylamino-2,4-dimethylbenzene, 2',4'-Acetoacetoxylidide, UNII-84GV04HEUG, m-Acetoacetoxylidide, Acetoacet-2,4-dimethylphenyl, AAMX, NSC 8398, Acetoacetanilide, 2',4'-dimethyl-, 3-Oxo-N-(2,4-methylphenyl)butanamide, 84GV04HEUG, N-(2,4-Dimethylphenyl)-3-oxobutyramide, HGVIAKXYAZRSEG-UHFFFAOYSA-N, NSC8398, Acetoacet m-xylidide, aceto acet m-xylidine, Acetoacet meta Xylidide, acetoacet-2,4-xylidide, AC1L5BST, EC 202-576-0, AC1Q1K2U, DSSTox_CID_20719, DSSTox_RID_79566, DSSTox_GSID_40719, labotest-bb lt01274614, 3-12-00-02484 (Beilstein Handbook Reference), SCHEMBL295936, acetoacetic acid-m-xylidid-2,4, CHEMBL1877137, DTXSID4040719, CTK3J0393, KS-00000URM, ZINC56822, NSC-8398, Tox21_302083, BBL004938, Butanamide,4-dimethylphenyl)-3-oxo-, HTS000799, MFCD00039836, SBB058482, STK301606, AKOS000120893, BS-4159, MCULE-1097481970, CAS-97-36-9, NCGC00164201-01, NCGC00255500-01, AJ-09440, ZB001840, N-(2,4-Dimethylphenyl)-3-oxobutanamide #, FT-0621786, H3020, ST24031287, ST45061334, A845708, BUTANAMIDE,N-(2,4-DIMETHYLPHENYL)-3-OXO, N-(2,4-dimethylphenyl)-3-oxidanylidene-butanamide, N-(2,4-dimethylphenyl)-3-oxo-butyric acid amide, N-(2,4-Dimethylphenyl)-3-oxobutyramide, 99.5%, I01-6414, W-100110, F0001-2304, 2,4-Dimethylacetoacetanilide, ACETOACET- M-XYLIDIDE, C12H15NO2, 2',4'-dimethylacetoacetanilid, EINECS 202-576-0, BRN 2110911, C12-H15-N-O2, CID222464,

Complexity	250
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	205.11g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	205.257g/mol
Monoisotopic Mass	205.11g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	46.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number