1-aminopropan-2-ol4-dodecylbenzenesulfonic acid

1-aminopropan-2-ol;4-dodecylbenzenesulfonic acid

CAS: 54590-52-2

Molecular Formula	`C21H39NO4S`
Molecular Weight	401.6 g/mol
Topological Polar Surface Area	109.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	5
Rotatable Bonds	13
Exact Mass	401.25998
Heavy Atoms	27
Complexity	374.0

Chemical Identifiers

CAS Number	54590-52-2
SMILES	`CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)O.CC(CN)O`
InChIKey	`AVRGWAZPWHQHGN-UHFFFAOYSA-N`

📖 Product Overview

1-aminopropan-2-ol4-dodecylbenzenesulfonic acid (CAS: 54590-52-2) is a chemical compound with molecular formula C21H39NO4S and molecular weight 401.6 g/mol. Its IUPAC systematic name is 1-aminopropan-2-ol;4-dodecylbenzenesulfonic acid. Topological Polar Surface Area 109.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 5 Rotatable Bonds 13 Exact Mass 401.25998 Heavy Atoms 27 Complexity 374.0 InChI Key: AVRGWAZPWHQHGN-UHFFFAOYSA-N. SMILES: CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)O.CC(CN)O.

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