(3S)-2,3-dimethyl-6-nitro-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride

CAS: 63937-33-7

Molecular Formula	`C17H19ClN2O2`
Molecular Weight	318.8 g/mol
Topological Polar Surface Area	50.3 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	1
Exact Mass	318.1135
Heavy Atoms	22
Complexity	375.0

Chemical Identifiers

CAS Number	63937-33-7
SMILES	`CC1C(C2=C(C[NH+]1C)C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3.[Cl-]`
InChIKey	`RAUFOFXMNPBTOY-HSQRQWGBSA-N`

📖 Product Overview

(3S)-2,3-dimethyl-6-nitro-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride (CAS: 63937-33-7) is a chemical compound with molecular formula C17H19ClN2O2 and molecular weight 318.8 g/mol. Its IUPAC systematic name is (3S)-2,3-dimethyl-6-nitro-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride. Topological Polar Surface Area 50.3 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 1 Exact Mass 318.1135 Heavy Atoms 22 Complexity 375.0 InChI Key: RAUFOFXMNPBTOY-HSQRQWGBSA-N. SMILES: CC1C(C2=C(C[NH+]1C)C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3.[Cl-].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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📚 Academic Support

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Multi-source research profile: chemical properties, regulatory status, and sourcing guide for (3S)-2,3-dimethyl-6-nitro-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride.

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