AG0016JW

122-82-7 | Acetoacet-p-phenetidide

AG0016JW

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CAS Number	122-82-7
Catalog Number	AG0016JW(AGN-PC-0JL491)
Chemical Name	Acetoacet-p-phenetidide
EC Number	204-577-1
IUPAC Name	N-(4-ethoxyphenyl)-3-oxobutanamide
InChI	InChI=1S/C12H15NO3/c1-3-16-11-6-4-10(5-7-11)13-12(15)8-9(2)14/h4-7H,3,8H2,1-2H3,(H,13,15)
InChI Key	WWROGCAUSKGAMX-UHFFFAOYSA-N
MDL Number	MFCD00043937
Molecular Formula	C12H15NO3
Molecular Weight	221.2524
NSC Number	50630
SMILES	CC(CC(NC1=CC=C(OCC)C=C1)=O)=O
UNII	QKC95SNL22
Synonyms	N-(4-Ethoxyphenyl)-3-oxobutanamide, 122-82-7, p-Acetoacetophenetidide, Acetoacet-p-phenetidide, 4'-Ethoxyacetoacetanilide, Acetoacet-p-phenetide, 4-Ethoxyacetoacetanilide, Acetoacetic acid p-phenetidide, BUTANAMIDE, N-(4-ETHOXYPHENYL)-3-OXO-, Acetoacetanilide, 4'-ethoxy-, Acetoacetic acid, p-phenetidide, NSC 50630, EINECS 204-577-1, UNII-QKC95SNL22, Acetoacetic acid p-phenetide, BRN 1460198, QKC95SNL22, N-(4-ethoxyphenyl)-3-oxo-butanamide, akos b029280, CBMicro_044781, N-Acetoacetyl-p-phenetidine, AC1L1UG0, acetoaceticacid,p-phenetidide, DSSTox_CID_24526, DSSTox_RID_80292, WLN: 2OR DMV1V1, DSSTox_GSID_44526, N-Acetoacetyl-4-ethoxyaniline, p-Acetoacetophenetidide (8CI), SCHEMBL2853774, CHEMBL3184726, DTXSID5044526, CTK6G2091, WWROGCAUSKGAMX-UHFFFAOYSA-N, ZINC449285, NSC50630, Tox21_301551, BBL004904, HTS028065, MFCD00043937, n-(4-ethoxyphenyl)-3-oxo-butanamid, NSC-50630, SBB023624, STK346742, AKOS000199973, butanamide,n-(4-ethoxyphenyl)-3-oxo-, MCULE-1984949646, KS-000015V5, NCGC00255849-01, AJ-22954, AN-25699, CAS-122-82-7, LS-13060, P233, SY033296, ZB014097, BIM-0044701.P001, AX8112200, DB-041690, FT-0621791, H2418, ST24031329, ST45106632, EN300-06680, MFCD00043937 (97%), 122E827, C-49814, SR-01000227037, 4 inverted exclamation mark -ethoxy-acetoacetanilid, I01-6404, J-004864, SR-01000227037-1, p-Acetoacetotoluidide, C12H15NO3, ACETO ACET-P-PHENETIDIDE, ACETESSIGSAEURE-P-PHENETIDID, CID61053, C12-H15-N-O3, A2039, 4-13-00-01229 (Beilstein Handbook Reference),

Complexity	245
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	221.105g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	221.256g/mol
Monoisotopic Mass	221.105g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	55.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P264-P270-P301+P310+P330-P405-P501
UN Code	UN 2811

Certificate of Analysis

Lot Number