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Basic Information
CAS No.: 1127-74-8
Name: 1,2,3,4-Tetrahydro-benzo[b]azepin-5-one
Article Data: 10
Molecular Structure:
Molecular Structure of 1127-74-8 (1,2,3,4-Tetrahydro-benzo[b]azepin-5-one)
Formula: C10H11NO
Molecular Weight: 161.203
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;
EINECS: 672-555-2
Density: 1.1 g/cm3
Melting Point: 87-88°C
Boiling Point: 314.6 °C at 760 mmHg
Flash Point: 142.8 °C
Hazard Symbols: Xi
Risk Codes: R36/37/38
PSA: 29.10000
LogP: 2.21300
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  • 1,2,3,4-Tetrahydro-benzo[b]azepin-5-one CAS No.1127-74-8

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Chemistry

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

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 .