Cinchonanium, 9-hydroxy-1-(phenylmethyl)-, chloride, (9S)-


Chemical Name: Cinchonanium, 9-hydroxy-1-(phenylmethyl)-, chloride, (9S)-
CAS Number: 69221-14-3
Product Number: AG00FCDB(AGN-PC-0TV4WL)
Synonyms:
MDL No:
Molecular Formula: C26H29ClN2O
Molecular Weight: 420.9743

Identification/Properties


Computed Properties
Molecular Weight:
420.981g/mol
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
5
Exact Mass:
420.197g/mol
Monoisotopic Mass:
420.197g/mol
Topological Polar Surface Area:
33.1A^2
Heavy Atom Count:
30
Formal Charge:
0
Complexity:
573
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
4
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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