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Azure C

CAT: 0127-OR1006391-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR1006391-01Size:1 g
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CAS Number
531-57-7
Purity
40%
Smiles
[Cl-].N=1C2=CC=C(N)C=C2[S+]=C3C=C(C=CC13)NC

Chemical Information

Azure C

Azure C is an organic chloride salt having 3-amino-7-(methylamino)phenothiazin-5-ium as the counterion. It has a role as a fluorochrome and a histological dye. It contains a 3-amino-7-(methylamino)phenothiazin-5-ium.

CAS Number531-57-7
PubChem CID135421845
IUPAC Name7-methyliminophenothiazin-10-ium-3-amine chloride
Molecular FormulaC13H12ClN3S
Molecular Weight277.77
Topological Polar Surface Area77.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count18
Formal Charge0
Complexity448
SMILES
CN=C1C=CC2=[NH+]C3=C(C=C(C=C3)N)SC2=C1.[Cl-]
InChI
InChI=1S/C13H11N3S.ClH/c1-15-9-3-5-11-13(7-9)17-12-6-8(14)2-4-10(12)16-11;/h2-7H,14H2,1H3;1H
InChIKey
DDGMDTGNGDOUPX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Azure C
CAS: 531-57-7
CID: 135421845
Formula: C13H12ClN3S
MW: 277.77
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight277.77
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass277.0440463
Monoisotopic Mass277.0440463
Topological Polar Surface Area77.7 Ų
Heavy Atom Count18
Formal Charge0
Complexity448
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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