Home Other Building Blocks 5580-33-6
5580-33-6,MFCD00052960
Catalog No.:AA003IFS
5580-33-6 | 3,4-Dimethylbenzamide
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$52.00   $36.00
- +
5g
95%
in stock  
$193.00   $135.00
- +
25g
95%
in stock  
$889.00   $623.00
- +
  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IFS
Chemical Name:
3,4-Dimethylbenzamide
CAS Number:
5580-33-6
Molecular Formula:
C9H11NO
Molecular Weight:
149.1897
MDL Number:
MFCD00052960
IUPAC Name:
3,4-dimethylbenzamide
InChI:
InChI=1S/C9H11NO/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H3,(H2,10,11)
InChI Key:
INGCXEIJXKQPJH-UHFFFAOYSA-N
SMILES:
NC(=O)c1ccc(c(c1)C)C
UNII:
1RMM93929W
Properties
Computed Properties
 
Complexity:
156  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.084g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
149.193g/mol
Monoisotopic Mass:
149.084g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

Synonyms
 
3,4-DIMETHYLBENZAMIDE 
5580-33-6 
SCHEMBL1002832 
CTK5A4208 
DTXSID50274714 
INGCXEIJXKQPJH-UHFFFAOYSA-N 
ZINC4284692 
5611AE 
SBB086653 
AKOS008937490 
VZ25607 
TS-01960 
UNII-1RMM93929W 
DB-021937 
TR-008480 
FT-0614368 
ST50824159 
A830813 
I14-107146 
N-Methyl-p-toluamide 
C9H11NO 
CID21755 
ZINC04284692 
1RMM93929W 
Benzamide, 3,4-dimethyl- (6CI,7CI,8CI,9CI) 
18370-11-1 
MFCD00052960 
Benzamide, 3,4-dimethyl- 
ACMC-20anek 
3.4-Dimethylbenzamid 
Benzamide,3,4-dimethyl- 
AC1L2J0J 
Literature
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