1,2,3,4-Tetrahydro-benzo[b]azepin-5-one supplier

Name
1,2,3,4-Tetrahydro-benzo[b]azepin-5-one
EINECS 672-555-2
CAS No. 1127-74-8
Article Data10
CAS DataBase
Density 1.1 g/cm³
Solubility
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
Appearance
Safety
Risk Codes R36/37/38
Molecular Structure
Hazard Symbols Xi
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;
PSA 29.10000
LogP 2.21300

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 .

Product Name

1,2,3,4-Tetrahydro-benzo[b]azepin-5-one

1,2,3,4-Tetrahydro-benzo[b]azepin-5-one Chemical Properties

1,2,3,4-Tetrahydro-benzo[b]azepin-5-one Specification

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