Cinchonanium, 9-hydroxy-6'-methoxy-1-(phenylmethyl)-, chloride, (9S)-


Chemical Name: Cinchonanium, 9-hydroxy-6'-methoxy-1-(phenylmethyl)-, chloride, (9S)-
CAS Number: 77481-82-4
Product Number: AG003SSL(AGN-PC-0UBTKM)
Synonyms:
MDL No:
Molecular Formula: C27H31ClN2O2
Molecular Weight: 451.0002

Identification/Properties


Properties
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
451.007g/mol
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
6
Exact Mass:
450.207g/mol
Monoisotopic Mass:
450.207g/mol
Topological Polar Surface Area:
42.4A^2
Heavy Atom Count:
32
Formal Charge:
0
Complexity:
620
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


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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