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65121-73-5 | 1,3,3-Trimethyl-2-((methylphenylhydrazono)methyl)-3H-indolium hydrogen sulphate
CAS No: 65121-73-5 Catalog No: AG006S2D MDL No:
Product Description
Catalog Number:
AG006S2D
Chemical Name:
1,3,3-Trimethyl-2-((methylphenylhydrazono)methyl)-3H-indolium hydrogen sulphate
CAS Number:
65121-73-5
Molecular Formula:
C19H23N3O4S
Molecular Weight:
389.4686
IUPAC Name:
hydrogen sulfate;N-methyl-N-[(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline
InChI:
InChI=1S/C19H22N3.H2O4S/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;1-5(2,3)4/h5-14H,1-4H3;(H2,1,2,3,4)/q+1;/p-1
InChI Key:
TVVVIPKPEFHAOO-UHFFFAOYSA-M
SMILES:
[O-]S(=O)(=O)O.CN(c1ccccc1)N=CC1=[N+](C)c2c(C1(C)C)cccc2
EC Number:
265-459-3
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.141g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
389.47g/mol
Monoisotopic Mass:
389.141g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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