Basic information
- CAS
34413-03-1- Standard SMILES
O=C(O)CCCCC(=O)Nc1ccccc1- InChIKey
GJDYPQDCMXGZAT-UHFFFAOYSA-N- Molecular formula
- C12H15NO3
- Average molar mass
- 221.25 g/mol
- Monoisotopic mass
- 221.10519334
Names & identifiers
- Preferred name
- Adipanilic acid
- IUPAC
- 6-anilino-6-oxohexanoic acid
- English name
- 6-Oxo-6-(phenylamino)hexanoic acid
- Molecular formula
- C12H15NO3
- Molecular weight
- 221.25
Names & synonyms
Adipanilic acid34413-03-1Adipic acid monoanilide6-oxo-6-(phenylamino)hexanoic acidMN74LA4XK06-Anilino-6-oxobutanoic acid5-Phenylcarbamoylpentanoic acidUNII-MN74LA4XK0Hexanoic acid, 6-oxo-6-(phenylamino)-L-001302471RefChem:1993826-Anilino-6-oxohexanoic acid
Show more names
AdipanilsaureSCHEMBL1060805AKOS009559988
Database identifiers
- CAS
34413-03-1- PubChem CID
- 9543535
- UNII
- MN74LA4XK0
- Nikkaji
- J38.833E
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- Melting point
- 152 · 152.0-153.0 °C
- Boiling point
- 476.8 · 476.8±28.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 4.7 · 4.70±0.10(Predicted)
- FDA UNII
- 74 LA4XK0 · MN74LA4XK0
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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