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73019-04-2 | 1,3,3-TRIMETHYL-2-[[METHYL[4-(PHENYLAZO)PHENYL]HYDRAZONO]METHYL]-3H-INDOLIUM METHYL SULFATE
CAS No: 73019-04-2 Catalog No: AG005YQV MDL No:
Product Description
Catalog Number:
AG005YQV
Chemical Name:
1,3,3-TRIMETHYL-2-[[METHYL[4-(PHENYLAZO)PHENYL]HYDRAZONO]METHYL]-3H-INDOLIUM METHYL SULFATE
CAS Number:
73019-04-2
Molecular Formula:
C26H29N5O4S
Molecular Weight:
507.6046
IUPAC Name:
N-methyl-4-phenyldiazenyl-N-[(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline;methyl sulfate
InChI:
InChI=1S/C25H26N5.CH4O4S/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;1-5-6(2,3)4/h5-18H,1-4H3;1H3,(H,2,3,4)/q+1;/p-1
InChI Key:
ZHQCIGBHULHDOR-UHFFFAOYSA-M
SMILES:
CN(c1ccc(cc1)N=Nc1ccccc1)N=CC1=[N+](C)c2c(C1(C)C)cccc2.COS(=O)(=O)[O-]
EC Number:
277-230-5
Properties
Complexity:
756
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
507.194g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
507.609g/mol
Monoisotopic Mass:
507.194g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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