N-(3-(Aden-9-yl)propyl)-3-carbamoylpyridinium bromide
1-[3-(6-aminopurin-9-yl)propyl]pyridin-1-ium-3-carboxamide;bromide;trihydrate
Also Known As: Sid 768633|KST-1B5323|N-(3-(Aden-9-yl)propyl)-3-carbamoylpyridinium bromide|1-[3-(6-amino-9h-purin-9-yl)propyl]-3-carbamoylpyridinium bromide hydrate(1:1:3)|Pyridinium, 3-(aminocarbonyl)-1-(3-(6-amino-9H-purin-9-yl)propyl)-, bromide, trihydrate|1-[3-(6-aminopurin-9-yl)propyl]pyridin-1-ium-3-carboxamide bromide trihydrate|Pyridinium, 3-(aminocarbonyl)-1-[3-(6-amino-9H-purin-9-yl)propyl]-, bromide, trihydrate
| Molecular Formula | C14H22BrN7O4 |
|---|---|
| Molecular Weight | 431.09167 g/mol |
| LogP | -5.5849 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.09167 |
| Monoisotopic Mass | 431.09167 |
| Heavy Atoms | 26 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 5451-46-7 |
|---|---|
| SMILES | C1=CC(=C[N+](=C1)CCCN2C=NC3=C(N=CN=C32)N)C(=O)N.O.O.O.[Br-] |
| InChIKey | UWYYJYZZJBJPFO-UHFFFAOYSA-N |
Product Overview
N-(3-(Aden-9-yl)propyl)-3-carbamoylpyridinium bromide (CAS 5451-46-7), with molecular formula C14H22BrN7O4 and molecular weight 431.09167 g/mol. IUPAC: 1-[3-(6-aminopurin-9-yl)propyl]pyridin-1-ium-3-carboxamide;bromide;trihydrate.
N-(3-(Aden-9-yl)propyl)-3-carbamoylpyridinium bromide is a custom synthesis product. We offer services from milligram to kilogram scale.
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