(2-hydroxy-3-pyrrolidin-1-ium-1-ylpropyl) 4-(butylamino)benzoate chloride

CAS: 100311-26-0

Molecular Formula	`C18H29ClN2O3`
Molecular Weight	356.9 g/mol
Topological Polar Surface Area	63.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	5
Rotatable Bonds	10
Exact Mass	356.18668
Heavy Atoms	24
Complexity	337.0

Chemical Identifiers

CAS Number	100311-26-0
SMILES	`CCCCNC1=CC=C(C=C1)C(=O)OCC(C[NH+]2CCCC2)O.[Cl-]`
InChIKey	`GDZLJTJTFRBSCY-UHFFFAOYSA-N`

📖 Product Overview

(2-hydroxy-3-pyrrolidin-1-ium-1-ylpropyl) 4-(butylamino)benzoate chloride (CAS: 100311-26-0) is a chemical compound with molecular formula C18H29ClN2O3 and molecular weight 356.9 g/mol. Its IUPAC systematic name is (2-hydroxy-3-pyrrolidin-1-ium-1-ylpropyl) 4-(butylamino)benzoate chloride. Topological Polar Surface Area 63.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 5 Rotatable Bonds 10 Exact Mass 356.18668 Heavy Atoms 24 Complexity 337.0 InChI Key: GDZLJTJTFRBSCY-UHFFFAOYSA-N. SMILES: CCCCNC1=CC=C(C=C1)C(=O)OCC(C[NH+]2CCCC2)O.[Cl-].

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