1,3,4,5-Tetrahydro-2H-1-benzazepin-2-one - CAS 4424-80-0

Catalog:	BB025549
Product Name:	1,3,4,5-Tetrahydro-2H-1-benzazepin-2-one
CAS:	4424-80-0
Synonyms:	1,3,4,5-tetrahydro-1-benzazepin-2-one; 1,3,4,5-tetrahydro-1-benzazepin-2-one

Technical Data

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Computed Properties

IUPAC Name:	1,3,4,5-tetrahydro-1-benzazepin-2-one
Description:	1,3,4,5-Tetrahydro-2H-1-benzazepin-2-one (CAS# 4424-80-0) is a compound useful in organic synthesis.
Molecular Weight:	161.20
Molecular Formula:	C10H11NO
Canonical SMILES:	C1CC2=CC=CC=C2NC(=O)C1
InChI:	InChI=1S/C10H11NO/c12-10-7-3-5-8-4-1-2-6-9(8)11-10/h1-2,4,6H,3,5,7H2,(H,11,12)
InChI Key:	HRVRAYIYXRVAPR-UHFFFAOYSA-N
Boiling Point:	339 °C at 760 mmHg
Density:	1.1 g/cm³
MDL:	MFCD00024149
LogP:	2.09940

Publication Number	Title	Priority Date
WO-2020238917-A1	Tetrahydro-1h-benzazepine compound as potassium channel modulator, preparation method and use thereof	20190531
WO-2020007822-A1	Bismuth metallic (0) nanoparticles, process of manufacturing and uses thereof	20180702
WO-2019191132-A1	Drug delivery formulations	20180327
EP-3773730-A1	Drug delivery formulations	20180327
WO-2019116324-A1	Triazolobenzazepines as vasopressin v1a receptor antagonists	20171215

PMID	Publication Date	Title	Journal
16271293	20060201	Synthesis and SAR of highly potent and selective dopamine D(3)-receptor antagonists: Quinolin(di)one and benzazepin(di)one derivatives. herve.geneste@abbott.com	Bioorganic & medicinal chemistry letters

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GHS Hazard Statement:	H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501
Signal Word:	Warning

Complexity:	179
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	161.084063974
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	161.084063974
Rotatable Bond Count:	0
Topological Polar Surface Area:	29.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4