Basic information
- CAS
6441-88-9- Standard SMILES
COC(=O)c1ccccc1-c1c2ccc(=[N+](C)C)cc-2oc2cc(O)ccc12.[Cl-]- InChIKey
VNIQYTQIXRDCTR-UHFFFAOYSA-N- Molecular formula
- C23H20ClNO4
- Average molar mass
- 409.9 g/mol
- Monoisotopic mass
- 409.1080858
Names & identifiers
- Preferred name
- Xanthylium, 3-(dimethylamino)-6-hydroxy-9-[2-(methoxycarbonyl)phenyl]-, chloride (1:1)
- IUPAC
- [6-hydroxy-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]-dimethylazanium chloride
- English name
- N-[6-hydroxy-9-[2-(methoxycarbonyl)phenyl]-3H-xanthen-3-ylidene]-N,N-dimethylammonium chloride
- Molecular formula
- C23H20ClNO4
- Molecular weight
- 409.87
Names & synonyms
6441-88-9DTXSID50884312EINECS 229-229-6Xanthylium, 3-(dimethylamino)-6-hydroxy-9-(2-(methoxycarbonyl)phenyl)-, chloride (1:1)Methanaminium, N-(6-hydroxy-9-(2-(methoxycarbonyl)phenyl)-3H-xanthen-3-ylidene)-N-methyl-, chlorideXanthylium, 3-(dimethylamino)-6-hydroxy-9-[2-(methoxycarbonyl)phenyl]-, chloride (1:1)Methanaminium, N-[6-hydroxy-9-[2-(methoxycarbonyl)phenyl]-3H-xanthen-3-ylidene]-N-methyl-, chlorideRefChem:195205DTXCID401023762N-(6-Hydroxy-9-(2-(methoxycarbonyl)phenyl)-3H-xanthen-3-ylidene)-N,N-dimethylammonium chlorideChloramine Chrome Blue 2GLN[6-hydroxy-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]-dimethylazanium;chloride
Show more names
1-(5-methyl-2-propan-2-ylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol,dihydrochlorideN-[6-hydroxy-9-[2-(methoxycarbonyl)phenyl]-3H-xanthen-3-ylidene]-N,N-dimethylammonium chlorideMethanaminium, N-(6-hydroxy-9-(2-(methoxycarbonyl)phenyl)-3H-xanthen-3-ylidene)-N-methyl-, chloride (1:1)
Properties
Computed structural properties
- Topological polar surface area
- 58.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 771
Physicochemical properties
- EPA Substance Registry System
- 6 · Methanaminium, N-[6-hydroxy-9-[2-(methoxycarbonyl)phenyl]-3H-xanthen-3-ylidene]-N-methyl-, chloride (6441-88-9)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationXanthylium, 3-(dimethylamino)-6-hydroxy-9-[2-(methoxycarbonyl)phenyl]-, chloride (1:1): INACTIVE
Suppliers1 total
天津可林科科技有限公司13363078196 18611514899 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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