C 3181

butyl 4-[butyl-(2-piperidin-1-ium-1-ylacetyl)amino]benzoate chloride

CAS: 78329-88-1

Molecular Formula	`C22H35ClN2O3`
Molecular Weight	411.0 g/mol
Topological Polar Surface Area	51.1 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	11
Exact Mass	410.2336
Heavy Atoms	28
Complexity	441.0

Chemical Identifiers

CAS Number	78329-88-1
SMILES	`CCCCN(C1=CC=C(C=C1)C(=O)OCCCC)C(=O)C[NH+]2CCCCC2.[Cl-]`
InChIKey	`LSITYJBLGLJVBD-UHFFFAOYSA-N`

📖 Product Overview

C 3181 (CAS: 78329-88-1) is a chemical compound with molecular formula C22H35ClN2O3 and molecular weight 411.0 g/mol. Its IUPAC systematic name is butyl 4-[butyl-(2-piperidin-1-ium-1-ylacetyl)amino]benzoate chloride. Topological Polar Surface Area 51.1 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 11 Exact Mass 410.2336 Heavy Atoms 28 Complexity 441.0 InChI Key: LSITYJBLGLJVBD-UHFFFAOYSA-N. SMILES: CCCCN(C1=CC=C(C=C1)C(=O)OCCCC)C(=O)C[NH+]2CCCCC2.[Cl-].

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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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