Basic information
- Standard SMILES
Nc1ccc(C(=O)N2CCCC(=O)c3ccccc32)cc1- InChIKey
VWFZSVSAZLYSFX-UHFFFAOYSA-N- Molecular formula
- C17H16N2O2
- Average molar mass
- 280.32 g/mol
- Monoisotopic mass
- 280.12117776
Names & identifiers
- Preferred name
- 1-(4-aminobenzoyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-one
- IUPAC
- 1-(4-aminobenzoyl)-3,4-dihydro-2H-1-benzazepin-5-one
- English name
- 1-(4-AMino-benzoyl)-1,2,3,4-tetrahydro-benzo[b]azepin-5-one
- Molecular formula
- C17H16N2O2
- Molecular weight
- 280.32
Names & synonyms
137976-09-11-(4-aminobenzoyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-one1-(4-Amino-benzoyl)-1,2,3,4-tetrahydro-benzo[b]azepin-5-one1-(4-AMINOBENZOYL)-3,4-DIHYDRO-2H-1-BENZAZEPIN-5-ONESCHEMBL6991836DTXSID80443835VWFZSVSAZLYSFX-UHFFFAOYSA-N1-(4-Aminobenzoyl)-1,2,3,4-tetrahydro-5H-1-benzazepin-5-one1-(4-aminobenzoyl)-2,3,4,5-tetrahydro1H-1-benzazepin-5-oneAKOS015917782CE-0237DB-290723
Show more names
1-(4-aminobenzoyl)-3,4-dihydro-1H-benzo[b]azepin-5(2H)-one5H-1-Benzazepin-5-one, 1-(4-aminobenzoyl)-1,2,3,4-tetrahydro-
1-(4-aminobenzoyl)-3,4-dihydro-1H-benzoazepin-5(2H)-one
Database identifiers
- CAS
137976-09-1- PubChem CID
- 10707874
- DTXSID
DTXSID80443835
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 63.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 402
Physicochemical properties
- Boiling point
- 520.3 · 520.3±50.0 °C(Predicted)
- Density
- 1.269 · 1.269±0.06 g/cm3(Predicted)
- pka
- 2.36 · 2.36±0.10(Predicted)
Chemistry & industry
Suppliers2 total
江苏倍达医药科技有限公司0512-63009836 18994340901 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
Related reactions
8 records
Linked notes
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