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Home > Indoles and Oxindole > 84788-03-4
84788-03-4 | 1,3,3-Trimethyl-2-((methylphenylhydrazono)methyl)-3H-indolium nitrate
CAS No: 84788-03-4 Catalog No: AG004XG0 MDL No:
Product Description
Catalog Number:
AG004XG0
Chemical Name:
1,3,3-Trimethyl-2-((methylphenylhydrazono)methyl)-3H-indolium nitrate
CAS Number:
84788-03-4
Molecular Formula:
C19H22N4O3
Molecular Weight:
354.4030
IUPAC Name:
N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline;nitrate
InChI:
InChI=1S/C19H22N3.NO3/c1-19(2)16-12-8-9-13-17(16)21(3)18(19)14-20-22(4)15-10-6-5-7-11-15;2-1(3)4/h5-14H,1-4H3;/q+1;-1
InChI Key:
QIGUALQIMHGHGD-UHFFFAOYSA-N
SMILES:
CN(c1ccccc1)N=CC1=[N+](C)c2c(C1(C)C)cccc2.[O-][N+](=O)[O-]
EC Number:
284-142-0
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
354.169g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.41g/mol
Monoisotopic Mass:
354.169g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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