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13018-79-6 | Phenothiazin-5-ium, 3,7-bis(dimethylamino)-, perchlorate (1:1)
CAS No: 13018-79-6 Catalog No: AG000U3E MDL No:
Product Description
Catalog Number:
AG000U3E
Chemical Name:
Phenothiazin-5-ium, 3,7-bis(dimethylamino)-, perchlorate (1:1)
CAS Number:
13018-79-6
Molecular Formula:
C16H18ClN3O4S
Molecular Weight:
383.8498
IUPAC Name:
[7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium;perchlorate
InChI:
InChI=1S/C16H18N3S.ClHO4/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;2-1(3,4)5/h5-10H,1-4H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
SCRKMJIWOKYIGJ-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.CN(c1ccc2c(c1)[s+]c1c(n2)ccc(c1)N(C)C)C
EC Number:
235-874-4
Properties
Complexity:
579
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.071g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
383.847g/mol
Monoisotopic Mass:
383.071g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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