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881426-23-9 | Phenothiazin-5-ium, 3,7-bis(dimethylamino)-1,9-diethyl-, chloride
CAS No: 881426-23-9 Catalog No: AG004GD4 MDL No:
Product Description
Catalog Number:
AG004GD4
Chemical Name:
Phenothiazin-5-ium, 3,7-bis(dimethylamino)-1,9-diethyl-, chloride
CAS Number:
881426-23-9
Molecular Formula:
C20H26ClN3S
Molecular Weight:
375.9585
IUPAC Name:
[7-(dimethylamino)-1,9-diethylphenothiazin-3-ylidene]-dimethylazanium;chloride
InChI:
InChI=1S/C20H26N3S.ClH/c1-7-13-9-15(22(3)4)11-17-19(13)21-20-14(8-2)10-16(23(5)6)12-18(20)24-17;/h9-12H,7-8H2,1-6H3;1H/q+1;/p-1
InChI Key:
VRTGTQHAUHOLCA-UHFFFAOYSA-M
SMILES:
CCc1cc(cc2c1nc1c(CC)cc(cc1[s+]2)N(C)C)N(C)C.[Cl-]
Properties
Complexity:
575
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.154g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
375.959g/mol
Monoisotopic Mass:
375.154g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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