4-((4-(Dimethylamino)phenyl)amino)-4-oxobut-2-enoic acid
Basic information
- CAS
6957-55-7- Standard SMILES
CN(C)c1ccc(NC(=O)/C=C/C(=O)O)cc1- InChIKey
YVQGKOJJBOYTDX-BQYQJAHWSA-N- Molecular formula
- C12H14N2O3
- Average molar mass
- 234.25 g/mol
- Monoisotopic mass
- 234.10044231
Names & identifiers
- Preferred name
- 4-((4-(Dimethylamino)phenyl)amino)-4-oxobut-2-enoic acid
- IUPAC
- (E)-4-[4-(dimethylamino)anilino]-4-oxobut-2-enoic acid
Names & synonyms
(2E)-3-{[4-(DIMETHYLAMINO)PHENYL]CARBAMOYL}PROP-2-ENOIC ACID1089300-40-24-((4-(Dimethylamino)phenyl)amino)-4-oxobut-2-enoic acid6957-55-7300829-90-7NSC65911(E)-4-[4-(dimethylamino)anilino]-4-oxobut-2-enoic acidHMS1783O20(E)-4-((4-(dimethylamino)phenyl)amino)-4-oxobut-2-enoic acidNSC-65911AKOS001039477CS-0345002
Show more names
ST50453292Z56174312F0016-1635(2E)-3-{N-[4-(dimethylamino)phenyl]carbamoyl}prop-2-enoic acid
Database identifiers
- CAS
6957-55-7- PubChem CID
- 732218
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 305
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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