N-[4-[[4-(Diethylamino)phenyl][4-[N-butyl-N-(2-sodiosulfoethyl)amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-(2-sulfonatoethyl)-1-butanaminium (CAS 5844-03-1) — formula C17H16BrN5O3, molecular weight 418.2; category organic chemicals.
| CAS Number | 5844-03-1 |
|---|---|
| Molecular Formula | C17H16BrN5O3 |
| Molecular Weight | 418.2 |
| LogP | 1.9 |
| Category | Organic Chemicals |
N-[4-[[4-(Diethylamino)phenyl][4-[N-butyl-N-(2-sodiosulfoethyl)amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-(2-sulfonatoethyl)-1-butanaminium is a carbon-based organic compound with CAS registry number 5844-03-1 and molecular formula C17H16BrN5O3 (molecular weight 418.2), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 5844-03-1
Its molecular formula C17H16BrN5O3 comprises 17 C, 16 H, 1 Br, 5 N, 3 O atoms.
Also known as: N-[4-[[4-(Diethylamino)phenyl][4-[N-butyl-N-(2-sodiosulfoethyl)amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-(2-sulfonatoethyl)-1-butanaminium · N-[4-[[4-(二乙氨基)苯基][4-[N-丁基-N-(2-磺基乙基)氨基]苯基]亚甲基]-2,5-环己二烯-1-亚基]-N-(2-磺酰基乙基)-1-丁胺
Category: organic chemicals
The CAS registry number of N-[4-[[4-(Diethylamino)phenyl][4-[N-butyl-N-(2-sodiosulfoethyl)amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-(2-sulfonatoethyl)-1-butanaminium is 5844-03-1.
Molecular formula C17H16BrN5O3, molecular weight 418.2.
It is also registered under: N-[4-[[4-(Diethylamino)phenyl][4-[N-butyl-N-(2-sodiosulfoethyl)amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-(2-sulfonatoethyl)-1-butanaminium, N-[4-[[4-(二乙氨基)苯基][4-[N-丁基-N-(2-磺基乙基)氨基]苯基]亚甲基]-2,5-环己二烯-1-亚基]-N-(2-磺酰基乙基)-1-丁胺.
Category: Organic Chemicals.
Independent reference data for N-[4-[[4-(Diethylamino)phenyl][4-[N-butyl-N-(2-sodiosulfoethyl)amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-(2-sulfonatoethyl)-1-butanaminium (CAS 5844-03-1), compiled from public chemistry databases.
| CAS 号 | 5844-03-1 |
|---|---|
| PubChem CID | 5286802 |
| 分子式 | C17H16BrN5O3 |
| IUPAC 名称 | 5-amino-3-[(Z)-2-(3-bromo-4,5-dimethoxyphenyl)-1-cyanoethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile |
| Molecular Weight | 418.2 |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 417.04365 |
| Monoisotopic Mass | 417.04365 |
| Topological Polar Surface Area | 130 |
| Heavy Atom Count | 26 |
AG-205/36957095; 5-amino-3-[(Z)-2-(3-bromo-4,5-dimethoxyphenyl)-1-cyanoethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile; Cambridge id 5844031; DTXSID40415311; STK374552; AKOS000544616; SR-01000407925; SR-01000407925-1; 5-amino-3-[(Z)-2-(3-bromo-4,5-dimethoxyphenyl)-1-cyanoethenyl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile; 5-amino-3-[2-(3-bromo-4,5-dimethoxyphenyl)-1-cyanovinyl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
N-[4-[[4-(二乙氨基)苯基][4-[N-丁基-N-(2-磺基乙基)氨基]苯基]亚甲基]-2,5-环己二烯-1-亚基]-N-(2-磺酰基乙基)-1-丁胺 · CAS 5844-03-1 · C17H16BrN5O3.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: N-[4-[[4-(二乙氨基)苯基][4-[N-丁基-N-(2-磺基乙基)氨基]苯基]亚甲基]-2,5-环己二烯-1-亚基]-N-(2-磺酰基乙基)-1-丁胺