Benzenesulfonic acid, 3-[[ethyl(3-methylphenyl)amino]methyl]-

3-[(N-ethyl-3-methylanilino)methyl]benzenesulfonic acid

CAS: 91-98-5

Molecular Formula	`C16H19NO3S`
Molecular Weight	305.4 g/mol
LogP	3.0
Topological Polar Surface Area	66.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	5
Exact Mass	305.10855
Heavy Atoms	21
Complexity	418.0

Chemical Identifiers

CAS Number	91-98-5
SMILES	`CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC=CC(=C2)C`
InChIKey	`QAHDKLRCWZENIP-UHFFFAOYSA-N`

📖 Product Overview

Benzenesulfonic acid, 3-[[ethyl(3-methylphenyl)amino]methyl]- (CAS: 91-98-5) is a chemical compound with molecular formula C16H19NO3S and molecular weight 305.4 g/mol. Its IUPAC systematic name is 3-[(N-ethyl-3-methylanilino)methyl]benzenesulfonic acid. LogP 3.0 Topological Polar Surface Area 66.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 5 Exact Mass 305.10855 Heavy Atoms 21 Complexity 418.0 InChI Key: QAHDKLRCWZENIP-UHFFFAOYSA-N. SMILES: CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC=CC(=C2)C.

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