1-(4-aminobenzoyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-one

HCID 10707874CAS 137976-09-1

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

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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