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80677-48-1 | 8-Azabicyclo[3.2.1]octane,3-(diphenylmethoxy)-8-methyl-, hydrobromide (1:1)
CAS No: 80677-48-1 Catalog No: AG005JXW MDL No:
Product Description
Catalog Number:
AG005JXW
Chemical Name:
8-Azabicyclo[3.2.1]octane,3-(diphenylmethoxy)-8-methyl-, hydrobromide (1:1)
CAS Number:
80677-48-1
Molecular Formula:
C21H25NO
Molecular Weight:
307.4293
IUPAC Name:
3-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane;hydrobromide
InChI:
InChI=1S/C21H25NO.BrH/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17;/h2-11,18-21H,12-15H2,1H3;1H
InChI Key:
DFENFKJORSPHQZ-UHFFFAOYSA-N
SMILES:
CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccccc1
NSC Number:
63912
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.12g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
388.349g/mol
Monoisotopic Mass:
387.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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