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Home Aminos Methyl 4-(butyrylamino)-3-methyl-5-nitrobenzoate

Methyl 4-(butyrylamino)-3-methyl-5-nitrobenzoate

CAS No.:
152628-01-8
Catalog Number:
AG007JDY
Molecular Formula:
C13H16N2O5
Molecular Weight:
280.2765
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%(HPLC)
In Stock USA
United States
$123
- +
5g
98%(HPLC)
In Stock USA
United States
$262
- +
10g
98%(HPLC)
In Stock USA
United States
$436
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25g
98%(HPLC)
In Stock USA
United States
$679
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Product Description
Catalog Number:
AG007JDY
Chemical Name:
Methyl 4-(butyrylamino)-3-methyl-5-nitrobenzoate
CAS Number:
152628-01-8
Molecular Formula:
C13H16N2O5
Molecular Weight:
280.2765
MDL Number:
MFCD08062447
IUPAC Name:
methyl 4-(butanoylamino)-3-methyl-5-nitrobenzoate
InChI:
InChI=1S/C13H16N2O5/c1-4-5-11(16)14-12-8(2)6-9(13(17)20-3)7-10(12)15(18)19/h6-7H,4-5H2,1-3H3,(H,14,16)
InChI Key:
IGCBUUTXGYCQAI-UHFFFAOYSA-N
SMILES:
CCCC(=O)Nc1c(C)cc(cc1[N+](=O)[O-])C(=O)OC
EC Number:
604-865-0
Properties
Complexity:
379  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.106g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
280.28g/mol
Monoisotopic Mass:
280.106g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
Methyl 3-amino-4-butanamido-5-methyl-benzoate. Acta crystallographica. Section E, Structure reports online 20080601
Properties