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84434-43-5 | 3-(Phenylazo)toluene-2,6-diamine monoacetate
CAS No: 84434-43-5 Catalog No: AG004STW MDL No:
Product Description
Catalog Number:
AG004STW
Chemical Name:
3-(Phenylazo)toluene-2,6-diamine monoacetate
CAS Number:
84434-43-5
Molecular Formula:
C15H18N4O2
Molecular Weight:
286.3290
IUPAC Name:
acetic acid;2-methyl-4-phenyldiazenylbenzene-1,3-diamine
InChI:
InChI=1S/C13H14N4.C2H4O2/c1-9-11(14)7-8-12(13(9)15)17-16-10-5-3-2-4-6-10;1-2(3)4/h2-8H,14-15H2,1H3;1H3,(H,3,4)
InChI Key:
JBJHXYMMZWGCIT-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1C)N)N=Nc1ccccc1.CC(=O)O
EC Number:
282-842-0
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.143g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
286.335g/mol
Monoisotopic Mass:
286.143g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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