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Cas Database |
| Name |
1,2,3,4-Tetrahydro-benzo[b]azepin-5-one |
EINECS | 672-555-2 |
| CAS No. | 1127-74-8 | Density | 1.1 g/cm3 |
| PSA | 29.10000 | LogP | 2.21300 |
| Solubility | N/A | Melting Point |
87-88°C |
| Formula | C10H11NO | Boiling Point | 314.6 °C at 760 mmHg |
| Molecular Weight | 161.203 | Flash Point | 142.8 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | R36/37/38 | |
| Molecular Structure |
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Hazard Symbols |
 Xi
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| Synonyms |
1,2,3,4-Tetrahydro-5H-1-benzazepin-5-one;5H-1-Benzazepin-5-one,1,2,3,4-tetrahydro-;3-Azabenzocyclohepten-7-one;5-Oxo-2,3,4,5-tetrahydro-1H-benzazepine;NSC 163836; |
Article Data | 10 |
1,2,3,4-Tetrahydro-benzo[b]azepin-5-one Chemical Properties
Molecule structure of 1,2,3,4-Tetrahydro-benzo[b]azepin-5-one (CAS NO.1127-74-8):
IUPAC Name: 1,2,3,4-Tetrahydro-1-benzazepin-5-one
Molecular Weight: 161.20044 g/mol
Molecular Formula: C10H11NO
Density: 1.1 g/cm3
Boiling Point: 314.6 °C at 760 mmHg
Flash Point: 142.8 °C
Index of Refraction: 1.547
Molar Refractivity: 46.51 cm3
Molar Volume: 146.5 cm3
Surface Tension: 38.9 dyne/cm
Enthalpy of Vaporization: 55.58 kJ/mol
Vapour Pressure: 0.000461 mmHg at 25 °C
XLogP3-AA: 1.7
H-Bond Donor: 1
H-Bond Acceptor: 2
Tautomer Count: 9
Exact Mass: 161.084064
MonoIsotopic Mass: 161.084064
Topological Polar Surface Area: 29.1
Heavy Atom Count: 12
Canonical SMILES: C1CC(=O)C2=CC=CC=C2NC1
InChI: InChI=1S/C10H11NO/c12-10-6-3-7-11-9-5-2-1-4-8(9)10/h1-2,4-5,11H,3,6-7H2
InChIKey: NKRKBYFBKLDCFB-UHFFFAOYSA-N
Product Categories of 1,2,3,4-Tetrahydro-benzo[b]azepin-5-one (CAS NO.1127-74-8): pharmacetical
1,2,3,4-Tetrahydro-benzo[b]azepin-5-one Specification
1,2,3,4-Tetrahydro-benzo[b]azepin-5-one (CAS NO.1127-74-8) is also named as 1,2,3,4-Tetrahydro-5H-1-benzazepin-5-one ; 5H-1-benzazepin-5-one, 1,2,3,4-tetrahydro- ; 1,2,3,4-Tetrahydrobenzoazepine-5-one .
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