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83949-98-8 | 1,3,3-Trimethyl-2-((methyl(4-(phenylazo)phenyl)hydrazono)methyl)-3H-indolium lactate
CAS No: 83949-98-8 Catalog No: AG004UNT MDL No:
Product Description
Catalog Number:
AG004UNT
Chemical Name:
1,3,3-Trimethyl-2-((methyl(4-(phenylazo)phenyl)hydrazono)methyl)-3H-indolium lactate
CAS Number:
83949-98-8
Molecular Formula:
C28H31N5O3
Molecular Weight:
485.5774
IUPAC Name:
2-hydroxypropanoate;N-methyl-4-phenyldiazenyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline
InChI:
InChI=1S/C25H26N5.C3H6O3/c1-25(2)22-12-8-9-13-23(22)29(3)24(25)18-26-30(4)21-16-14-20(15-17-21)28-27-19-10-6-5-7-11-19;1-2(4)3(5)6/h5-18H,1-4H3;2,4H,1H3,(H,5,6)/q+1;/p-1
InChI Key:
KAZJWVKLTSUTIV-UHFFFAOYSA-M
SMILES:
CN(c1ccc(cc1)N=Nc1ccccc1)N=CC1=[N+](C)c2c(C1(C)C)cccc2.[O-]C(=O)C(O)C
EC Number:
281-455-4
Properties
Complexity:
719
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
485.243g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
485.588g/mol
Monoisotopic Mass:
485.243g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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