1H-Benz[de]isoquinolin-1-one,2-(3S)-1-azabicyclo[2.2.2]oct-3-yl-2,3,3a,4,5,6-hexahydro-,monohydrochloride, (3aS)-


Chemical Name: 1H-Benz[de]isoquinolin-1-one,2-(3S)-1-azabicyclo[2.2.2]oct-3-yl-2,3,3a,4,5,6-hexahydro-,monohydrochloride, (3aS)-
CAS Number: 135729-62-3
Product Number: AG00360J(AGN-PC-0PKP0T)
Synonyms:
MDL No:
Molecular Formula: C19H25ClN2O
Molecular Weight: 332.8676

Identification/Properties


Properties
MP:
>290°C
BP:
470.4°C at 760 mmHg
Storage:
Inert atmosphere;-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
332.872g/mol
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
332.166g/mol
Monoisotopic Mass:
332.166g/mol
Topological Polar Surface Area:
23.6A^2
Heavy Atom Count:
23
Formal Charge:
0
Complexity:
456
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
Undefined Atom Stereocenter Count:
0
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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