Account 9-[4(or 5)-Amino-2-carboxyphenyl]-3,6-bis(diethylamino)-xanthylium inner salt
- Catalog No. :
- ACUTBQ089
- CAS No. :
- 100992-88-9
- Molecular Formula :
- C56H62N6O6
- Molecular Weight :
- 915.15
IUPAC Name:4-amino-2-(3,6-bis(diethylamino)xanthylium-9-yl)benzoate--5-amino-2-(3,6-bis(diethylamino)xanthylium-9-yl)benzoate (1/1)
![9-[4(or 5)-Amino-2-carboxyphenyl]-3,6-bis(diethylamino)-xanthylium inner salt structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 9-[4(or 5)-Amino-2-carboxyphenyl]-3,6-bis(diethylamino)-xanthylium inner salt |
|---|---|
| IUPAC Name | 4-amino-2-(3,6-bis(diethylamino)xanthylium-9-yl)benzoate--5-amino-2-(3,6-bis(diethylamino)xanthylium-9-yl)benzoate (1/1) |
| Molecular Formula | C56H62N6O6 |
| Molecular Weight | 915.15 |
| SMILES | CCN(CC)C1=CC2=[O+]C3=CC(N(CC)CC)=CC=C3C(C3=CC(N)=CC=C3C(=O)[O-])=C2C=C1.CCN(CC)C1=CC2=[O+]C3=CC(N(CC)CC)=CC=C3C(C3=CC=C(N)C=C3C(=O)[O-])=C2C=C1 |
| InChI Key | YLJIOZVVNWRULA-UHFFFAOYSA-N |
| Synonym | XanthyliuM, 9-[4(or5)-aMino-2-carboxyphenyl]-3,6-bis(diethylaMino)-, inner salt;[9-(4-amino-2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium,chloride |
| CAS No. | 100992-88-9 |
Safety Data
- Pictogram
- Signal Word
- Gefahr
- Hazard Statement(s)
- H302-H315-H318-H335
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362-P403+P233-P405-P501
Synthetic Route by SureRoute
2. ACUTBQ089 Molecular Building Block Synthetic Route
4,5-Diamino-2-(3,6-bis(diethylamino)xanthylium-9-yl)benzoate
4-Amino-2-(3,6-bis(dimethylamino)xanthylium-9-yl)benzoate
N-(9-(2-carboxy-4-isothiocyanatophenyl)-6-(diethylamino)-3H-xanthen-3-ylidene)-N-ethylethanaminium chloride