Basic information
- CAS
67465-33-2- Standard SMILES
CCOC(=O)C(CC[NH3+])(C(=O)OCC)c1ccc2c(c1)OCO2.[Cl-]- InChIKey
JBDUAFBJQGYHFE-UHFFFAOYSA-N- Molecular formula
- C16H22ClNO6
- Average molar mass
- 359.8 g/mol
- Monoisotopic mass
- 359.1135651
Names & identifiers
- Preferred name
- Malonic acid, (2-aminoethyl)(3,4-methylenedioxyphenyl)-, diethyl ester, hydrochloride
- IUPAC
- [3-(1,3-benzodioxol-5-yl)-4-ethoxy-3-ethoxycarbonyl-4-oxobutyl]azanium chloride
Names & synonyms
67465-33-2Malonic acid, (2-aminoethyl)(3,4-methylenedioxyphenyl)-, diethyl ester, hydrochlorideRefChem:1088763Diethyl 2-aminoethyl-(3,4-methylenedioxyphenyl)malonate hydrochloride
Database identifiers
- CAS
67465-33-2- PubChem CID
- 49865
Properties
Computed structural properties
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 409
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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