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NBD-5-acylcholine

NBD-5-acylcholine structure

CAS No:
70214-86-7
Formula:
C17H26N5O5+
Chemical Name:
NBD-5-acylcholine
Synonyms:
N-7-(4-nitrobenzo-2-oxo-1,3-diazole)-omega-aminohexanoic acid beta-(N-trimethylammonium)ethyl ester;NBD-5-acylcholine;NBD-5-acylcholine chloride;Ethanaminium, N,N,N-trimethyl-2-((6-((7-nitro-4-benzofurazanyl)amino)-1-oxohexyl)oxy)-;DTXSID50220478
Categories:
Organic Chemistry > Amides

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NBD-5-acylcholine Basic Attributes

Molecular Weight：

380.425

Exact Mass：

380.193

DSSTox ID：

DTXSID50220478

Characteristics

PSA：

123

XLogP3：

1.9

Drug Information

MeSH Entry Terms：

N-7-(4-nitrobenzo-2-oxo-1,3-diazole)-omega-aminohexanoic acid beta-(N-trimethylammonium)ethyl ester

Computed Properties

Molecular Weight:380.4
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:11
Exact Mass:380.19339395
Monoisotopic Mass:380.19339395
Topological Polar Surface Area:123
Heavy Atom Count:27
Formal Charge:1
Complexity:493
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes