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85409-74-1 | 6-AMINO-4-METHYL-5-[(4-NITROPHENYL)AZO]-2-[[3-(2-PHENOXYETHOXY)PROPYL]AMINO]NICOTINONITRILE
CAS No: 85409-74-1 Catalog No: AG004OF5 MDL No:
Product Description
Catalog Number:
AG004OF5
Chemical Name:
6-AMINO-4-METHYL-5-[(4-NITROPHENYL)AZO]-2-[[3-(2-PHENOXYETHOXY)PROPYL]AMINO]NICOTINONITRILE
CAS Number:
85409-74-1
Molecular Formula:
C24H25N7O4
Molecular Weight:
475.4998
IUPAC Name:
6-amino-4-methyl-5-[(4-nitrophenyl)diazenyl]-2-[3-(2-phenoxyethoxy)propylamino]pyridine-3-carbonitrile
InChI:
InChI=1S/C24H25N7O4/c1-17-21(16-25)24(27-12-5-13-34-14-15-35-20-6-3-2-4-7-20)28-23(26)22(17)30-29-18-8-10-19(11-9-18)31(32)33/h2-4,6-11H,5,12-15H2,1H3,(H3,26,27,28)
InChI Key:
PBFPIWUOXLTYMA-UHFFFAOYSA-N
SMILES:
N#Cc1c(NCCCOCCOc2ccccc2)nc(c(c1C)N=Nc1ccc(cc1)[N+](=O)[O-])N
EC Number:
287-145-5
Properties
Complexity:
710
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
475.197g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
475.509g/mol
Monoisotopic Mass:
475.197g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
164A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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