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18249-12-2 | Methanaminium, N-[4-[[4-(dimethylamino)phenyl](3,6-disulfo-1-naphthalenyl)methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, inner salt
CAS No: 18249-12-2 Catalog No: AG0023X0 MDL No:
Product Description
Catalog Number:
AG0023X0
Chemical Name:
Methanaminium, N-[4-[[4-(dimethylamino)phenyl](3,6-disulfo-1-naphthalenyl)methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, inner salt
CAS Number:
18249-12-2
IUPAC Name:
4-[[4-(dimethylamino)phenyl]-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-7-sulfonaphthalene-2-sulfonate
InChI:
InChI=1S/C27H26N2O6S2/c1-28(2)21-9-5-18(6-10-21)27(19-7-11-22(12-8-19)29(3)4)26-17-24(37(33,34)35)16-20-15-23(36(30,31)32)13-14-25(20)26/h5-17H,1-4H3,(H-,30,31,32,33,34,35)
InChI Key:
QTAWOJMFARURQW-UHFFFAOYSA-N
EC Number:
242-126-0
Properties
Complexity:
1120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
538.123g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
538.633g/mol
Monoisotopic Mass:
538.123g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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