Basic information
- CAS
15386-93-3- Standard SMILES
O=C(O)CCC(=O)Nc1cccc(C(F)(F)F)c1- InChIKey
RDBAUUCITWNACL-UHFFFAOYSA-N- Molecular formula
- C11H10F3NO3
- Average molar mass
- 261.2 g/mol
- Monoisotopic mass
- 261.06127767
Names & identifiers
- Preferred name
- N-(3-Trifluoromethyl-phenyl)-succinamic acid
- IUPAC
- 4-oxo-4-[3-(trifluoromethyl)anilino]butanoic acid
- English name
- 4-Oxo-4-([3-(trifluoromethyl)phenyl]amino)butanoic acid
- Molecular formula
- C11H10F3NO3
- Molecular weight
- 261.2
Names & synonyms
15386-93-3N-(3-Trifluoromethyl-phenyl)-succinamic acidDTXSID50308427RefChem:361514DTXCID802595544-oxo-4-[3-(trifluoromethyl)anilino]butanoic acid4-oxo-4-([3-(trifluoromethyl)phenyl]amino)butanoic acid3-{[3-(trifluoromethyl)phenyl]carbamoyl}propanoic acid4-oxo-4-((3-(trifluoromethyl)phenyl)amino)butanoic acidMFCD00029839ZINC72374F0358-0039
Show more names
ASISCHEM V87481BUTTPARK 41\07-69IFLAB-BB F0358-00393'-(TRIFLUOROMETHYL)SUCCINANILIC ACIDButanoic acid, 4-oxo-4-[[3-(trifluoromethyl)phenyl]amino]-
4-oxo-4-{[3-(trifluoromethyl)phenyl]amino}butanoic acid3-{N-[3-(trifluoromethyl)phenyl]carbamoyl}propanoic acidNSC203940CBKinase1_000599CBKinase1_012999SCHEMBL5122417CCG-359RDBAUUCITWNACL-UHFFFAOYSA-N
Database identifiers
- CAS
15386-93-3- PubChem CID
- 306262
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 317
Physicochemical properties
- Melting point
- 123 °C · 123 °C
- Boiling point
- 438.1 · 438.1±45.0 °C(Predicted)
- Density
- 1.422 · 1.422±0.06 g/cm3(Predicted)
- pka
- 4.63 · 4.63±0.10(Predicted)
Chemistry & industry
Suppliers7 total
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
上海康满林生物医药有限公司68080707 15021879576 · [email protected]
上海源香科生物科技有限公司13248186658 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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