Basic information
- CAS
67465-36-5- Standard SMILES
CCOC(=O)C(C(=O)OCC)(c1ccccc1)C(C)C[NH3+].[Cl-]- InChIKey
GLQUHBVDOYBHFW-UHFFFAOYSA-N- Molecular formula
- C16H24ClNO4
- Average molar mass
- 329.82 g/mol
- Monoisotopic mass
- 329.1393859
Names & identifiers
- Preferred name
- Diethyl (1-aminopropan-2-yl)(phenyl)propanedioate--hydrogen chloride (1/1)
- IUPAC
- (4-ethoxy-3-ethoxycarbonyl-2-methyl-4-oxo-3-phenylbutyl)azanium chloride
Names & synonyms
67465-36-5DTXSID70986766Diethyl (1-aminopropan-2-yl)(phenyl)propanedioate--hydrogen chloride (1/1)RefChem:1083460DTXCID001413941Diethyl (3-amino-2-propyl)(phenyl)malonate hydrochlorideMALONIC ACID, (3-AMINO-2-PROPYL)PHENYL-, DIETHYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
67465-36-5- PubChem CID
- 49871
Properties
Computed structural properties
- Topological polar surface area
- 80.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 332
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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