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77497-97-3

77497-97-3 structural image
Product Name: Benzyl (S)-(-)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate p-toluenesulfonic acid salt
Formula: C17H17NO2.C7H8O3S
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SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Environment
GHS09
GHS Hazard Statements H411:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P273:Avoid release to the environment.

COMPUTED DESCRIPTORS

Molecular Weight 439.5 g/mol
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 5
Exact Mass 439.14534407 g/mol
Monoisotopic Mass 439.14534407 g/mol
Topological Polar Surface Area 101 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 531
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes

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