(2S,3R)-N-[2-(diethylamino)ethyl]-2-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide

CAS: 100447-54-9

Molecular Formula	`C21H26N2O3`
Molecular Weight	354.4 g/mol
LogP	3.3
Topological Polar Surface Area	50.8 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	7
Exact Mass	354.19434
Heavy Atoms	26
Complexity	435.0

Chemical Identifiers

CAS Number	100447-54-9
SMILES	`CCN(CC)CCNC(=O)C1C(OC2=CC=CC=C2O1)C3=CC=CC=C3`
InChIKey	`BQKAIPBBWHMZKR-VQTJNVASSA-N`

📖 Product Overview

(2S,3R)-N-[2-(diethylamino)ethyl]-2-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CAS: 100447-54-9) is a chemical compound with molecular formula C21H26N2O3 and molecular weight 354.4 g/mol. Its IUPAC systematic name is (2S,3R)-N-[2-(diethylamino)ethyl]-2-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide. LogP 3.3 Topological Polar Surface Area 50.8 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 7 Exact Mass 354.19434 Heavy Atoms 26 Complexity 435.0 InChI Key: BQKAIPBBWHMZKR-VQTJNVASSA-N. SMILES: CCN(CC)CCNC(=O)C1C(OC2=CC=CC=C2O1)C3=CC=CC=C3.

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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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