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Home > Nitro Compounds > 6358-31-2
6358-31-2 | Butanamide,2-[(2-methoxy-4-nitrophenyl)azo]-N-(2-methoxyphenyl)-3-oxo-
CAS No: 6358-31-2 Catalog No: AG01DQ6A MDL No:MFCD00070296
Product Description
Catalog Number:
AG01DQ6A
Chemical Name:
Butanamide,2-[(2-methoxy-4-nitrophenyl)azo]-N-(2-methoxyphenyl)-3-oxo-
CAS Number:
6358-31-2
Molecular Formula:
C18H18N4O6
Molecular Weight:
386.3587
MDL Number:
MFCD00070296
IUPAC Name:
2-[(2-methoxy-4-nitrophenyl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide
InChI:
InChI=1S/C18H18N4O6/c1-11(23)17(18(24)19-13-6-4-5-7-15(13)27-2)21-20-14-9-8-12(22(25)26)10-16(14)28-3/h4-10,17H,1-3H3,(H,19,24)
InChI Key:
ZTISORAUJJGACZ-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1/N=N/C(C(=O)Nc1ccccc1OC)C(=O)C)[N+](=O)[O-]
EC Number:
228-768-4
Properties
Complexity:
593
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.123g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
386.364g/mol
Monoisotopic Mass:
386.123g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Metabolism of pigment yellow 74 by rat and human microsomal proteins. | Drug metabolism and disposition: the biological fate of chemicals 20051001 |
| Photodecomposition of Pigment Yellow 74, a pigment used in tattoo inks. | Photochemistry and photobiology 20040101 |
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