Diethyl[(3-chloro-4-methylphenyl)amino]propanedioate
Basic information
- CAS
6939-58-8- Standard SMILES
CCOC(=O)C(Nc1ccc(C)c(Cl)c1)C(=O)OCC- InChIKey
MIEQPARDBZLIEO-UHFFFAOYSA-N- Molecular formula
- C14H18ClNO4
- Average molar mass
- 299.75 g/mol
- Monoisotopic mass
- 299.0924357
Names & identifiers
- Preferred name
- Diethyl[(3-chloro-4-methylphenyl)amino]propanedioate
- IUPAC
- diethyl 2-(3-chloro-4-methylanilino)propanedioate
Names & synonyms
NSC570656939-58-8diethyl[(3-chloro-4-methylphenyl)amino]propanedioateNCIOpen2_002244DTXSID80288647NSC-57065DS-010781Diethyl (3-chloro-4-methylanilino)propanedioatediethyl 2-(3-chloro-4-methyl-anilino)propanedioateDiethyl 2-[(3-chloro-4-methyl-phenyl)amino]propanedioate2-(3-Chloro-4-methyl-phenylamino)-malonic acid diethyl ester
Database identifiers
- CAS
6939-58-8- PubChem CID
- 245290
- DTXSID
DTXSID80288647
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 319
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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