Basic information
- CAS
67465-35-4- Standard SMILES
CCOC(=O)C(CC[NH3+])(C(=O)OCC)c1ccc(C)c(C)c1.[Cl-]- InChIKey
ROLAMTQOOCIDSJ-UHFFFAOYSA-N- Molecular formula
- C17H26ClNO4
- Average molar mass
- 343.8 g/mol
- Monoisotopic mass
- 343.155036
Names & identifiers
- Preferred name
- Diethyl (2-aminoethyl)(3,4-dimethylphenyl)propanedioate--hydrogen chloride (1/1)
- IUPAC
- [3-(3,4-dimethylphenyl)-4-ethoxy-3-ethoxycarbonyl-4-oxobutyl]azanium chloride
Names & synonyms
67465-35-4DTXSID10986765Diethyl (2-aminoethyl)(3,4-dimethylphenyl)propanedioate--hydrogen chloride (1/1)RefChem:1083462DTXCID301413940Diethyl 2-aminoethyl-(3,4-xylyl)malonate hydrochlorideMALONIC ACID, (2-AMINOETHYL)(3,4-XYLYL)-, DIETHYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
67465-35-4- PubChem CID
- 49869
Properties
Computed structural properties
- Topological polar surface area
- 80.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 365
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…