NBD-5-acylcholine
trimethyl-[2-[6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoyloxy]ethyl]azanium
Also Known As: Nbd-5-acylcholine|Ethanaminium, N,N,N-trimethyl-2-((6-((7-nitro-4-benzofurazanyl)amino)-1-oxohexyl)oxy)-|trimethyl-[2-[6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoyloxy]ethyl]azanium|N-7-(4-Nitrobenzo-2-oxo-1,3-diazole)-omega-aminohexanoic acid beta-(N-trimethylammonium)ethyl ester|N,N,N-Trimethyl-2-({6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]hexanoyl}oxy)ethan-1-aminium
| Molecular Formula | C17H26N5O5+ |
|---|---|
| Molecular Weight | 380.1934 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 380.1934 |
| Monoisotopic Mass | 380.1934 |
| Heavy Atoms | 27 |
| Complexity | 493.0 |
Chemical Identifiers
| CAS Number | 90604-97-0 |
|---|---|
| SMILES | C[N+](C)(C)CCOC(=O)CCCCCNC1=CC=C(C2=NON=C12)[N+](=O)[O-] |
| InChIKey | BLWHUXXKWKVPAY-UHFFFAOYSA-N |
Product Overview
NBD-5-acylcholine (CAS 90604-97-0), with molecular formula C17H26N5O5+ and molecular weight 380.1934 g/mol. IUPAC: trimethyl-[2-[6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoyloxy]ethyl]azanium.
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