ethyl 2-[2-(azocan-1-yl)ethylcarbamoyl]-2-phenylbutanoate

CAS: 100739-57-9

Molecular Formula	`C22H34N2O3`
Molecular Weight	374.5 g/mol
LogP	4.1
Topological Polar Surface Area	58.6 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	9
Exact Mass	374.25696
Heavy Atoms	27
Complexity	454.0

Chemical Identifiers

CAS Number	100739-57-9
SMILES	`CCC(C1=CC=CC=C1)(C(=O)NCCN2CCCCCCC2)C(=O)OCC`
InChIKey	`WKFDHVSCSSVMOH-UHFFFAOYSA-N`

📖 Product Overview

ethyl 2-[2-(azocan-1-yl)ethylcarbamoyl]-2-phenylbutanoate (CAS: 100739-57-9) is a chemical compound with molecular formula C22H34N2O3 and molecular weight 374.5 g/mol. Its IUPAC systematic name is ethyl 2-[2-(azocan-1-yl)ethylcarbamoyl]-2-phenylbutanoate. LogP 4.1 Topological Polar Surface Area 58.6 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 9 Exact Mass 374.25696 Heavy Atoms 27 Complexity 454.0 InChI Key: WKFDHVSCSSVMOH-UHFFFAOYSA-N. SMILES: CCC(C1=CC=CC=C1)(C(=O)NCCN2CCCCCCC2)C(=O)OCC.

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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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