Diethyl (2-aminoethyl)(phenyl)propanedioate--hydrogen chloride (1/1)
Basic information
- CAS
67465-34-3- Standard SMILES
CCOC(=O)C(CC[NH3+])(C(=O)OCC)c1ccccc1.[Cl-]- InChIKey
CKAVMDYCBCKERR-UHFFFAOYSA-N- Molecular formula
- C15H22ClNO4
- Average molar mass
- 315.79 g/mol
- Monoisotopic mass
- 315.1237359
Names & identifiers
- Preferred name
- Diethyl (2-aminoethyl)(phenyl)propanedioate--hydrogen chloride (1/1)
- IUPAC
- (4-ethoxy-3-ethoxycarbonyl-4-oxo-3-phenylbutyl)azanium chloride
Names & synonyms
67465-34-3DTXSID50986764Diethyl (2-aminoethyl)(phenyl)propanedioate--hydrogen chloride (1/1)RefChem:1083464DTXCID001413939Diethyl 2-aminoethyl-phenylmalonate hydrochlorideMALONIC ACID, (2-AMINOETHYL)PHENYL-, DIETHYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
67465-34-3- PubChem CID
- 49867
Properties
Computed structural properties
- Topological polar surface area
- 80.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 306
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Related reactions
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Compound notes
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