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2465-29-4 | Xanthylium, 3,6-bis(methylamino)-, chloride (1:1)
CAS No: 2465-29-4 Catalog No: AG002OY5 MDL No:MFCD00051287
Product Description
Catalog Number:
AG002OY5
Chemical Name:
Xanthylium, 3,6-bis(methylamino)-, chloride (1:1)
CAS Number:
2465-29-4
Molecular Formula:
C15H15ClN2O
Molecular Weight:
274.7454
MDL Number:
MFCD00051287
IUPAC Name:
methyl-[6-(methylamino)xanthen-3-ylidene]azanium;chloride
InChI:
InChI=1S/C15H14N2O.ClH/c1-16-12-5-3-10-7-11-4-6-13(17-2)9-15(11)18-14(10)8-12;/h3-9,16H,1-2H3;1H
InChI Key:
IVHDZUFNZLETBM-UHFFFAOYSA-N
SMILES:
CNc1ccc2c(c1)[o+]c1c(c2)ccc(c1)NC.[Cl-]
EC Number:
219-568-8
UNII:
0KGA4B4N1H
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.087g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
274.748g/mol
Monoisotopic Mass:
274.087g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Preparation and supramolecular properties of unadulterated glycosyl liposomes from a bis(alpha-D-mannopyranosyl)-[60]fullerene conjugate. | Chemistry & biodiversity 20050901 |
| Cooperative molecular recognition of dyes by dyad and triad cyclodextrin-crown ether conjugates. | Organic & biomolecular chemistry 20040521 |
| [Spectrophotometric determination of nitrite ion with acridine red based on the nitrosation reaction]. | Guang pu xue yu guang pu fen xi = Guang pu 20011001 |
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