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72984-92-0 | 3H-Indolium,1,3,3-trimethyl-2-[[2-methyl-2-[4-(2-phenyldiazenyl)phenyl]hydrazinylidene]methyl]-,chloride (1:1)
CAS No: 72984-92-0 Catalog No: AG005YS3 MDL No:
Product Description
Catalog Number:
AG005YS3
Chemical Name:
3H-Indolium,1,3,3-trimethyl-2-[[2-methyl-2-[4-(2-phenyldiazenyl)phenyl]hydrazinylidene]methyl]-,chloride (1:1)
CAS Number:
72984-92-0
Molecular Formula:
C25H26ClN5
Molecular Weight:
431.9604
IUPAC Name:
N-methyl-4-phenyldiazenyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline;chloride
InChI:
InChI=1S/C25H26N5.ClH/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;/h5-18H,1-4H3;1H/q+1;/p-1
InChI Key:
VFWIORFZDNFZID-UHFFFAOYSA-M
SMILES:
CN(c1ccc(cc1)N=Nc1ccccc1)N=CC1=[N+](C)c2c(C1(C)C)cccc2.[Cl-]
EC Number:
277-172-0
Properties
Complexity:
665
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
431.188g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
431.968g/mol
Monoisotopic Mass:
431.188g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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