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Home > Indoles and Oxindole > 83949-68-2
83949-68-2 | 1,3,3-Trimethyl-2-((methyl(p-tolyl)hydrazono)methyl)-3H-indolium dihydrogen phosphate
CAS No: 83949-68-2 Catalog No: AG004UNV MDL No:
Product Description
Catalog Number:
AG004UNV
Chemical Name:
1,3,3-Trimethyl-2-((methyl(p-tolyl)hydrazono)methyl)-3H-indolium dihydrogen phosphate
CAS Number:
83949-68-2
Molecular Formula:
C20H26N3O4P
Molecular Weight:
403.4119
IUPAC Name:
dihydrogen phosphate;N,4-dimethyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline
InChI:
InChI=1S/C20H24N3.H3O4P/c1-15-10-12-16(13-11-15)23(5)21-14-19-20(2,3)17-8-6-7-9-18(17)22(19)4;1-5(2,3)4/h6-14H,1-5H3;(H3,1,2,3,4)/q+1;/p-1
InChI Key:
HTWQLVRJCFBCPY-UHFFFAOYSA-M
SMILES:
[O-]P(=O)(O)O.Cc1ccc(cc1)N(N=CC1=[N+](C)c2c(C1(C)C)cccc2)C
EC Number:
281-428-7
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
403.166g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
403.419g/mol
Monoisotopic Mass:
403.166g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
99.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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