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- chem960
- 62604-45-9
- 2-(2,2-diphenylacetyl)oxyethyl-trimethylazanium,bromide
- 2-(2,2-diphenylacetyl)oxyethyl-trimethylazanium
- bromide
- CHEMBL2377384
- NSC141264
- NSC-141264
- 62604-45-9
- DTXSID30638214
- 2-[(Diphenylacetyl)oxy]-N,N,N-trimethylethan-1-aminium bromide
- BDBM50491120
- InChIKey：ILFQGJPUOKTJFS-UHFFFAOYSA-M
- Inchi：InChI=1S/C19H24NO2.BrH/c1-20(2,3)14-15-22-19(21)18(16-10-6-4-7-11-16)17-12-8-5-9-13-17;/h4-13,18H,14-15H2,1-3H3;1H/q+1;/p-1
- SMILES：C[N+](C)(C)CCOC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2.[Br-]
Computed Properties
- Exact Mass: 298.18082
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Rotatable Bond Count: 7
- Monoisotopic Mass: 377.099042
- Heavy Atom Count: 23
- Complexity: 318
- Isotope Atom Count: 0
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Covalently-Bonded Unit Count: 2
- Topological Polar Surface Area: 26.3
Experimental Properties
- LogP: 0.07190
- PSA: 26.3
-
adiphenine CAS No.: 64-95-9
