Malonic acid, (2-aminoethyl)(p-methoxyphenyl)-, diethyl ester, hydrochloride

HCID 49863

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Basic information

CAS: 67465-32-1
Standard SMILES: CCOC(=O)C(CC[NH3+])(C(=O)OCC)c1ccc(OC)cc1.[Cl-]
InChIKey: NDIXNZOYIHXERB-UHFFFAOYSA-N
Molecular formula: C16H24ClNO5
Average molar mass: 345.8 g/mol
Monoisotopic mass: 345.1343006

Names & identifiers

Preferred name: Malonic acid, (2-aminoethyl)(p-methoxyphenyl)-, diethyl ester, hydrochloride
IUPAC: [4-ethoxy-3-ethoxycarbonyl-3-(4-methoxyphenyl)-4-oxobutyl]azanium chloride

Names & synonyms

67465-32-1MALONIC ACID, (2-AMINOETHYL)(p-METHOXYPHENYL)-, DIETHYL ESTER, HYDROCHLORIDERefChem:1088764Diethyl 2-aminoethyl-(p-methoxyphenyl)malonate hydrochloride

Database identifiers

CAS: 67465-32-1
PubChem CID: 49863

Properties

Computed structural properties

Topological polar surface area: 89.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 10
Heavy atoms: 23
Formal charge: 0
Complexity: 346

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