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Benzyl (S)-(-)-1,2,3,4-Tetrahydro-3-Isoquinolinecarboxylate P-Toluenesulfonic Acid Salt

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Benzyl (S)-(-)-1,2,3,4-Tetrahydro-3-Isoquinolinecarboxylate P-Toluenesulfonic Acid Salt / CAS : 77497-97-3

Appearance White crystal UN 3077
HS 29339900 DG Class 0.0
Synonyms (S)-1,2,3,4-Tetrahydro-3-Isoquinoline-Carboxylic Acid Benzyl Ester Ptsa Salt; (S)-3-Benzyloxycarbonyl-1,2,3,4-Tetrahydroisoquinolinium P-Toluenesulfonate
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Properties

Summary

Formula
C24H25NO5S
Molecular Mass
439.52400
Exact Mass
439.14500
PSA
101.08000
Logp
5.09560
IUPAC
benzyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate;4-methylbenzenesulfonic acid
SMILES
CC1=CC=C(C=C1)S(=O)(=O)O.C1C(NCC2=CC=CC=C21)C(=O)OCC3=CC=CC=C3

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Intermediates
Agrochemicals > Pesticide Intermediates
Dyestuffs and Pigments > Intermediates

Chemical and Physical Properties

Melting Point
145-150°C
Boiling Point
634.1ºC
Appearance
White crystal
Acidity and Basicity
neutral

Export information

HS Code
29339900
Export Rebate
13%
UN No.
3077
DG-Class
0.0
Risk Code
R51/53
Safety Label
N

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