Diethyl [(m-chloroanilino)methylene]malonate
Basic information
- CAS
3412-99-5- Standard SMILES
CCOC(=O)C(=CNc1cccc(Cl)c1)C(=O)OCC- InChIKey
BPRVACYIWCWMTJ-UHFFFAOYSA-N- Molecular formula
- C14H16ClNO4
- Average molar mass
- 297.73 g/mol
- Monoisotopic mass
- 297.0767857
Names & identifiers
- Preferred name
- Diethyl [(m-chloroanilino)methylene]malonate
- IUPAC
- diethyl 2-[(3-chloroanilino)methylidene]propanedioate
- English name
- diethyl [(m-chloroanilino)methylene]malonate
- Molecular formula
- C14H16ClNO4
- Molecular weight
- 297.73
Names & synonyms
3412-99-5Diethyl ((m-chloroanilino)methylene)malonateDIETHYL [(M-CHLOROANILINO)METHYLENE]MALONATEVT5HT3L4XSNSC-3748EINECS 222-301-8AI3-18594DTXSID70187711NSC 3748Propanedioic acid, (((3-chlorophenyl)amino)methylene)-, diethyl ester1,3-DIETHYL 2-(((3-CHLOROPHENYL)AMINO)METHYLENE)PROPANEDIOATEPROPANEDIOIC ACID, 2-(((3-CHLOROPHENYL)AMINO)METHYLENE)-, 1,3-DIETHYL ESTER
Show more names
DIETHYL((3-CHLOROANILINO)METHYLENE)MALONATEdiethyl {[(3-chlorophenyl)amino]methylidene}propanedioate1,3-diethyl 2-{[(3-chlorophenyl)amino]methylidene}propanedioate[(3-Chlorophenylamino)methylene]propanedioic acid diethyl esterPropanedioic acid, 2-[[(3-chlorophenyl)amino]methylene]-, 1,3-diethyl ester
1,3-Diethyl 2-[[(3-chlorophenyl)amino]methylene]propanedioateRefChem:133364DTXCID30110202222-301-8Diethyl 2-(((3-chlorophenyl)amino)methylene)malonateMFCD00760212diethyl 2-[(3-chloroanilino)methylidene]propanedioateZINC100051187
Database identifiers
- CAS
3412-99-5- PubChem CID
- 94808
- DTXSID
DTXSID70187711- UNII
- VT5HT3L4XS
- EC Number
- 222-301-8
- Nikkaji
- J205.515E
Properties
Computed structural properties
- XLogP
- 3.9
- 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
- 350
Physicochemical properties
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- FDA UNII
- 5 HT3L4XS · VT5HT3L4XS
Chemistry & industry
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