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Pyronin Y | SBID = 146 | Compound |
Structure
Molecular Properties
Interactions: |
4
|
PubChem TPSA/Å2: |
15.5 |
Ertl TPSA/Å2: |
|
Hydrophilicity (PubChem XLogP): |
|
Hydrophilicity (Cheng XLogP3): |
|
Charge: |
0.0 |
Number of H-Bond Donors: |
0.0 |
Number of H-Bond Acceptors: |
3.0 |
Number of Stereogenic Bonds (E/Z): |
0.0 |
Number of Stereogenic Atoms (R/S): |
0.0 |
3D Volume/Å3: |
|
Sum Formula: |
C17H19ClN2O |
M / g/mol: |
302.802 |
Complexity: |
480.0 |
Number of Conformers: |
0.0 |
Identifiers
-
Tags:
dye, aromatic, typical guest, charged
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Name:
Pyronin Y
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Preferred Abbreviation:
Pyronin G
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IUPAC Name:
[6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium;chloride
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CAS:
92-32-0
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CID:
7085
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InChiKey:
INCIMLINXXICKS-UHFFFAOYSA-M
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InChi:
InChI=1S/C17H19N2O.ClH/c1-18(2)14-7-5-12-9-13-6-8-15(19(3)4)11-17(13)20-16(12)10-14;/h5-11H,1-4H3;1H/q+1;/p-1
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CanoSmiles:
CN(C)C1=CC2=C(C=C1)C=C3C=CC(=[N+](C)C)C=C3O2.[Cl-]
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IsoSmiles:
CN(C)C1=CC2=C(C=C1)C=C3C=CC(=[N+](C)C)C=C3O2.[Cl-]