N-Cbz-azepan-4-one - CAS 83621-33-4

Name: N-Cbz-azepan-4-one
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB037064
Product Name:	N-Cbz-azepan-4-one
CAS:	83621-33-4
Synonyms:	4-oxo-1-azepanecarboxylic acid (phenylmethyl) ester; benzyl 4-oxoazepane-1-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	benzyl 4-oxoazepane-1-carboxylate
Description:	N-Cbz-azepan-4-one (CAS# 83621-33-4) is a useful research chemical.
Molecular Weight:	247.29
Molecular Formula:	C14H17NO3
Canonical SMILES:	C1CC(=O)CCN(C1)C(=O)OCC2=CC=CC=C2
InChI:	InChI=1S/C14H17NO3/c16-13-7-4-9-15(10-8-13)14(17)18-11-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2
InChI Key:	ORJQXZSDLARZBC-UHFFFAOYSA-N
Boiling Point:	398.18 °C at 760 mmHg
Density:	1.177 g/cm³
MDL:	MFCD03788442
LogP:	2.31610

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[17746-05-3]C11H21ClO
Undecanoyl chloride
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
US-2020140411-A1	2-amino-n-heteroaryl-nicotinamides as nav1.8 inhibitors	20181102
WO-2020092667-A1	2-amino-n-heteroaryl-nicotinamides as nav1.8 inhibitors	20181102
CN-113272293-A	2-amino-N-heteroaryl-nicotinamide as NAV1.8 inhibitors	20181102
EP-3873893-A1	2-amino-n-heteroaryl-nicotinamides as nav1.8 inhibitors	20181102
KR-20210086687-A	2-Amino-N-heteroaryl-nicotinamide as a NAV1.8 inhibitor	20181102

Complexity:	297
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	247.12084340
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	247.12084340
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4