[3-(1,3-benzodioxol-5-yl)-4-ethoxy-3-ethoxycarbonyl-4-oxobutyl]azanium chloride

CAS: 67465-33-2

Molecular Formula	`C16H22ClNO6`
Molecular Weight	359.8 g/mol
Topological Polar Surface Area	98.7 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	9
Exact Mass	359.11356
Heavy Atoms	24
Complexity	409.0

Chemical Identifiers

CAS Number	67465-33-2
SMILES	`CCOC(=O)C(CC[NH3+])(C1=CC2=C(C=C1)OCO2)C(=O)OCC.[Cl-]`
InChIKey	`JBDUAFBJQGYHFE-UHFFFAOYSA-N`

📖 Product Overview

[3-(1,3-benzodioxol-5-yl)-4-ethoxy-3-ethoxycarbonyl-4-oxobutyl]azanium chloride (CAS: 67465-33-2) is a chemical compound with molecular formula C16H22ClNO6 and molecular weight 359.8 g/mol. Its IUPAC systematic name is [3-(1,3-benzodioxol-5-yl)-4-ethoxy-3-ethoxycarbonyl-4-oxobutyl]azanium chloride. Topological Polar Surface Area 98.7 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 7 Rotatable Bonds 9 Exact Mass 359.11356 Heavy Atoms 24 Complexity 409.0 InChI Key: JBDUAFBJQGYHFE-UHFFFAOYSA-N. SMILES: CCOC(=O)C(CC[NH3+])(C1=CC2=C(C=C1)OCO2)C(=O)OCC.[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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📚 Academic Support

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