Isoetharine, (1S,2R)-

4-[(1S,2R)-1-hydroxy-2-(propan-2-ylamino)butyl]benzene-1,2-diol

CAS: 52520-15-7

Molecular Formula	`C13H21NO3`
Molecular Weight	239.31 g/mol
LogP	1.7
Topological Polar Surface Area	72.7 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	4
Rotatable Bonds	5
Exact Mass	239.15215
Heavy Atoms	17
Complexity	223.0

Chemical Identifiers

CAS Number	52520-15-7
SMILES	`CCC(C(C1=CC(=C(C=C1)O)O)O)NC(C)C`
InChIKey	`HUYWAWARQUIQLE-MFKMUULPSA-N`

📖 Product Overview

Isoetharine, (1S,2R)- (CAS: 52520-15-7) is a chemical compound with molecular formula C13H21NO3 and molecular weight 239.31 g/mol. Its IUPAC systematic name is 4-[(1S,2R)-1-hydroxy-2-(propan-2-ylamino)butyl]benzene-1,2-diol. LogP 1.7 Topological Polar Surface Area 72.7 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 4 Rotatable Bonds 5 Exact Mass 239.15215 Heavy Atoms 17 Complexity 223.0 InChI Key: HUYWAWARQUIQLE-MFKMUULPSA-N. SMILES: CCC(C(C1=CC(=C(C=C1)O)O)O)NC(C)C.

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