Cinchonanium, 9-hydroxy-1-(phenylmethyl)-, chloride, (8a,9R)-


Chemical Name: Cinchonanium, 9-hydroxy-1-(phenylmethyl)-, chloride, (8a,9R)-
CAS Number: 69257-04-1
Product Number: AG003SRO(AGN-PC-0TV6TD)
Synonyms:
MDL No:
Molecular Formula: C26H29ClN2O
Molecular Weight: 420.9743

Identification/Properties


Properties
MP:
210 °C (dec.)(lit.)
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Refractive Index:
-184 ° (C=1, H2O)
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


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

NMR Spectrum


Other Analytical Data


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