[3-(1,3-Benzodioxol-5-yl)-4-ethoxy-3-ethoxycarbonyl-4-oxobutyl]azaniumchloride

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Catalog Number
ACM67465332
Product Name
[3-(1,3-Benzodioxol-5-yl)-4-ethoxy-3-ethoxycarbonyl-4-oxobutyl]azaniumchloride
CAS
67465-33-2
Category
Heterocyclic Organic Compound
Synonyms
CID49865, LS-88782, Diethyl 2-aminoethyl-(3,4-methylenedioxyphenyl)malonate hydrochloride, Malonic acid, (2-aminoethyl)(3,4-methylenedioxyphenyl)-, diethyl ester, hydrochloride, 67465-33-2
IUPAC Name
[3-(1,3-benzodioxol-5-yl)-4-ethoxy-3-ethoxycarbonyl-4-oxobutyl]azanium chloride
Molecular Weight
359.802 g/mol
Molecular Formula
C16H22ClNO6
Canonical SMILES
CCOC(=O)C(CC[NH₃+])(C1=CC2=C(C=C1)OCO2)C(=O)OCC.[Cl-]
InChI Key
JBDUAFBJQGYHFE-UHFFFAOYSA-N
Boiling Point
446.1ºC at 760 mmHg
Flash Point
176.5ºC
Exact Mass
359.11400
H-Bond Acceptor
7
H-Bond Donor
1
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