CR 612

2-[4-[(2S)-3-(benzylamino)-3-oxo-2-(phenylmethoxycarbonylamino)propyl]phenoxy]ethyl-dimethylazanium chloride

CAS: 57228-51-0

Molecular Formula	`C28H34ClN3O4`
Molecular Weight	512.0 g/mol
Topological Polar Surface Area	81.1 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	5
Rotatable Bonds	13
Exact Mass	511.2238
Heavy Atoms	36
Complexity	609.0

Chemical Identifiers

CAS Number	57228-51-0
SMILES	`C[NH+](C)CCOC1=CC=C(C=C1)CC(C(=O)NCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3.[Cl-]`
InChIKey	`ASPPJGIQPFVUBM-SNYZSRNZSA-N`

📖 Product Overview

CR 612 (CAS: 57228-51-0) is a chemical compound with molecular formula C28H34ClN3O4 and molecular weight 512.0 g/mol. Its IUPAC systematic name is 2-[4-[(2S)-3-(benzylamino)-3-oxo-2-(phenylmethoxycarbonylamino)propyl]phenoxy]ethyl-dimethylazanium chloride. Topological Polar Surface Area 81.1 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 5 Rotatable Bonds 13 Exact Mass 511.2238 Heavy Atoms 36 Complexity 609.0 InChI Key: ASPPJGIQPFVUBM-SNYZSRNZSA-N. SMILES: C[NH+](C)CCOC1=CC=C(C=C1)CC(C(=O)NCC2=CC=CC=C2)NC(=O)OCC3=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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Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.

What documentation do you provide with the product?

We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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