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93-68-5,MFCD00008782
Catalog No.:AA003HLK
93-68-5 | 3-Oxo-N-(o-tolyl);butanamide
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Purity
Availability
Price(USD)
Quantity
  
5g
98%
in stock  
$27.00
- +
25g
98%
in stock  
$33.00
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100g
98%
in stock  
$48.00
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500g
98%
in stock  
$87.00
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003HLK
Chemical Name:
3-Oxo-N-(o-tolyl);butanamide
CAS Number:
93-68-5
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
MDL Number:
MFCD00008782
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
SMILES:
O=C(Nc1ccccc1C)CC(=O)C
EC Number:
202-267-0
UNII:
MCN1GV8J3R
NSC Number:
7655
Properties
Computed Properties
 
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  

Synonyms
 
2'-Methylacetoacetanilide 
93-68-5 
Acetoacetyl-2-methylanilide 
2-Acetoacetotoluidide 
UNII-MCN1GV8J3R 
NSC 7655 
CCRIS 7750 
Acetoaceto-ortho-toluidide 
EINECS 202-267-0 
MCN1GV8J3R 
BRN 2099098 
AI3-08708 
N-(2-Methylphenyl)-3-oxobutanamide 
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 
N-Acetoacetyl-o-toluidine 
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 
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 
3-Oxo-N-(o-tolyl)butanamide 
ZINC439455 
KS-00000WY1 
KS-00003ZK9 
NSC-7655 
Tox21_201308 
Tox21_303146 
ANW-40089 
HTS000793 
MFCD00008782 
STK400317 
Acetoacet-o-toluidide 
AKOS000120625 
BS-4052 
MCULE-5582017112 
N-(2-Methylphenyl)-3-oxobutanamide # 
NE10610 
TRA0028653 
NCGC00164200-01 
NCGC00164200-02 
NCGC00256990-01 
NCGC00258860-01 
Acetoacet-o-toluidine 
AJ-22875 
AN-24269 
K705 
LS-13066 
ZB014074 
DB-057420 
TC-128834 
FT-0610937 
ST24028607 
ST45044261 
2-Acetoacetylaminotoluene 
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 
Butanamide, N-(2-methylphenyl)-3-oxo- 
CID7154 
AR-1J8128 
C11-H13-N-O2 
A1020 
2'-Methylacetoacetanilide, 99% - 500G 500g 
5593-10-2 
99465-99-3 
Literature

Title: Developing biologically active compounds having efficient DNA binding and cleavage activity: spectroscopic investigation.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120701

Title: Synthesis, spectral, catalytic and antimicrobial studies of PPh3/AsPh3 complexes of Ru(II) with dibasic tridentate O, N, S donor ligands.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20070901

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