1,2,3,4-Tetrahydrobenzo[b]azepin-5-one - CAS 1127-74-8

Name: 1,2,3,4-Tetrahydrobenzo[b]azepin-5-one
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB003043
Product Name:	1,2,3,4-Tetrahydrobenzo[b]azepin-5-one
CAS:	1127-74-8
Synonyms:	1,2,3,4-tetrahydro-1-benzazepin-5-one; 1,2,3,4-tetrahydro-1-benzazepin-5-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1,2,3,4-tetrahydro-1-benzazepin-5-one
Description:	1,2,3,4-Tetrahydrobenzo[b]azepin-5-one (CAS# 1127-74-8) is a useful research chemical.
Molecular Weight:	161.20
Molecular Formula:	C10H11NO
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
InChI Key:	NKRKBYFBKLDCFB-UHFFFAOYSA-N
Boiling Point:	314.6 °C at 760 mmHg
Density:	1.1 g/cm³
Storage:	Keep in dark place, Sealed in dry, 2-8 °C
MDL:	MFCD03426404
LogP:	2.21300

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Related Functional Groups

Carbonyl Compounds

[87-88-7]C6H2Cl2O4
Chloranilic acid
[17746-05-3]C11H21ClO
Undecanoyl chloride
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[253429-30-0]C12H16BrFO3
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2019082910-A1	Vasopressin receptor antagonist	20171025
JP-2021014406-A	Vasopressin receptor antagonist	20171025
US-2019002479-A1	Heterocyclic compounds as rsv inhibitors	20170630
WO-2019006295-A1	HETEROCYCLIC COMPOUNDS AS RSV INHIBITORS	20170630
US-11091501-B2	Heterocyclic compounds as RSV inhibitors	20170630

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:	2
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:	1.7