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Azur II For Microscopy

CAT: 1278-00323 00025Size: 25 gDry Ice: NoHazardous: No
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CAT#:1278-00323 00025Size:25 g
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CAS Number
37247-10-2
HS Code
32049000
Packaging Group
GB

Chemical Information

Azure II
CAS Number37247-10-2
PubChem CID16218618
IUPAC Name[7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium;dimethyl-[7-(methylamino)phenothiazin-3-ylidene]azanium;dichloride
Molecular FormulaC31H34Cl2N6S2
Molecular Weight625.7
Topological Polar Surface Area96.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count41
Formal Charge0
Complexity980
SMILES
CNC1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.[Cl-].[Cl-]
InChI
InChI=1S/C16H18N3S.C15H15N3S.2ClH/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;1-16-10-4-6-12-14(8-10)19-15-9-11(18(2)3)5-7-13(15)17-12;;/h5-10H,1-4H3;4-9H,1-3H3;2*1H/q+1;;;/p-1
InChIKey
YOWZJZJLXUQHGF-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Azure II
CAS: 37247-10-2
CID: 16218618
Formula: C31H34Cl2N6S2
MW: 625.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight625.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass624.1663428
Monoisotopic Mass624.1663428
Topological Polar Surface Area96.6 Ų
Heavy Atom Count41
Formal Charge0
Complexity980
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes

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