9-(2-Carboxylato-4-carboxyphenyl)-3,6-bis(diethylamino)xanthylium (CAS 90066-13-0) — formula C29H30N2O5, molecular weight 486.6; category organic chemicals.
| CAS Number | 90066-13-0 |
|---|---|
| Molecular Formula | C29H30N2O5 |
| Molecular Weight | 486.6 |
| LogP | 4.5 |
| Applications | General Manufacturing Information: Xanthylium, 9-(2, 4-dicarboxyphenyl)-3, 6-bis(diethylamino)-, inner salt: INACTIVE |
| Category | Organic Chemicals |
Documented applications: General Manufacturing Information: Xanthylium, 9-(2, 4-dicarboxyphenyl)-3, 6-bis(diethylamino)-, inner salt: INACTIVE.
9-(2-Carboxylato-4-carboxyphenyl)-3,6-bis(diethylamino)xanthylium is a carbon-based organic compound with CAS registry number 90066-13-0 and molecular formula C29H30N2O5 (molecular weight 486.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 90066-13-0
Its molecular formula C29H30N2O5 comprises 29 C, 30 H, 2 N, 5 O atoms.
Also known as: 9-(2-Carboxylato-4-carboxyphenyl)-3,6-bis(diethylamino)xanthylium · 9-(2-羧酸基-4-羧基苯基)-3,6-双(二乙基氨基)呫吨鎓
Category: organic chemicals
The CAS registry number of 9-(2-Carboxylato-4-carboxyphenyl)-3,6-bis(diethylamino)xanthylium is 90066-13-0.
Molecular formula C29H30N2O5, molecular weight 486.6.
It is also registered under: 9-(2-Carboxylato-4-carboxyphenyl)-3,6-bis(diethylamino)xanthylium, 9-(2-羧酸基-4-羧基苯基)-3,6-双(二乙基氨基)呫吨鎓.
Recorded applications: General Manufacturing Information: Xanthylium, 9-(2, 4-dicarboxyphenyl)-3, 6-bis(diethylamino)-, inner salt: INACTIVE.
Category: Organic Chemicals.
Independent reference data for 9-(2-Carboxylato-4-carboxyphenyl)-3,6-bis(diethylamino)xanthylium (CAS 90066-13-0), compiled from public chemistry databases.
| CAS 号 | 90066-13-0 |
|---|---|
| PubChem CID | 75003 |
| 分子式 | C29H30N2O5 |
| IUPAC 名称 | 3-carboxy-4-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]benzoate |
| Molecular Weight | 486.6 |
|---|---|
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 486.21547206 |
| Monoisotopic Mass | 486.21547206 |
| Topological Polar Surface Area | 92.9 |
| Heavy Atom Count | 36 |
90066-13-0; Xanthylium, 9-(2,4-dicarboxyphenyl)-3,6-bis(diethylamino)-, inner salt; Xanthylium, 9-(2,4-dicarboxyphenyl)-3,6-bis(diethylamino)-, hydroxide, inner salt; RefChem:195206; 3-carboxy-4-[6-(diethylamino)-3-(diethyliminio)-3h-xanthen-9-yl]benzoate; 3-carboxy-4-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]benzoate; DTXSID00944915; NZRQKXUQAXJACC-UHFFFAOYSA-N; 2-[3,6-Bis(diethylamino)xanthen-10-ium-9-yl]-5-carboxybenzoate
9-(2-羧酸基-4-羧基苯基)-3,6-双(二乙基氨基)呫吨鎓 · CAS 90066-13-0 · C29H30N2O5.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.