BENZOIC ACID, 4-AMINO-2-ETHOXY-, 3-PIPERIDINOPROPYL ESTER, DIHYDROCHLORIDE structure

BENZOIC ACID, 4-AMINO-2-ETHOXY-, 3-PIPERIDINOPROPYL ESTER, DIHYDROCHLORIDE

[3-ethoxy-4-(3-piperidin-1-ium-1-ylpropoxycarbonyl)phenyl]azanium dichloride

CAS: 100811-88-9
Molecular Formula C17H28Cl2N2O3
Molecular Weight 379.3 g/mol
Topological Polar Surface Area 67.6 A2
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
Rotatable Bonds 8
Exact Mass 378.1477
Heavy Atoms 24
Complexity 332.0

Chemical Identifiers

CAS Number 100811-88-9
SMILES CCOC1=C(C=CC(=C1)[NH3+])C(=O)OCCC[NH+]2CCCCC2.[Cl-].[Cl-]
InChIKey XFSSXIUFZOFTNX-UHFFFAOYSA-N

📖 Product Overview

BENZOIC ACID, 4-AMINO-2-ETHOXY-, 3-PIPERIDINOPROPYL ESTER, DIHYDROCHLORIDE (CAS: 100811-88-9) is a chemical compound with molecular formula C17H28Cl2N2O3 and molecular weight 379.3 g/mol. Its IUPAC systematic name is [3-ethoxy-4-(3-piperidin-1-ium-1-ylpropoxycarbonyl)phenyl]azanium dichloride. Topological Polar Surface Area 67.6 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 8 Exact Mass 378.1477 Heavy Atoms 24 Complexity 332.0 InChI Key: XFSSXIUFZOFTNX-UHFFFAOYSA-N. SMILES: CCOC1=C(C=CC(=C1)[NH3+])C(=O)OCCC[NH+]2CCCCC2.[Cl-].[Cl-].

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Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.
What documentation do you provide with the product?
We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.
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