N-Cbz-4-aminocyclohexanone - CAS 16801-63-1

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

Catalog:	BB012446
Product Name:	N-Cbz-4-aminocyclohexanone
CAS:	16801-63-1
Synonyms:	benzyl N-(4-oxocyclohexyl)carbamate

Technical Data

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Computed Properties

IUPAC Name:	benzyl N-(4-oxocyclohexyl)carbamate
Description:	N-Cbz-4-aminocyclohexanone (CAS# 16801-63-1) is a useful research chemical.
Molecular Weight:	247.29
Molecular Formula:	C14H17NO3
Canonical SMILES:	C1CC(=O)CCC1NC(=O)OCC2=CC=CC=C2
InChI:	InChI=1S/C14H17NO3/c16-13-8-6-12(7-9-13)15-14(17)18-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,17)
InChI Key:	VHXBIBFCJISKFA-UHFFFAOYSA-N
Boiling Point:	427.3 °C at 760 mmHg
Melting Point:	86-87 °C
Purity:	95 %
Density:	1.17 g/cm³
LogP:	2.81540

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Related Functional Groups

Carbonyl Compounds

[87-88-7]C6H2Cl2O4
Chloranilic acid
[17746-05-3]C11H21ClO
Undecanoyl chloride
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[2168559-63-3]C8H10ClNO2
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride
[927676-51-5]C10H6BrNO3
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid
[108397-75-7]C8H10N2O2
2,4,6-Trimethylpyrimidine-5-carboxylic Acid

Nitrogen Compounds

[1281984-38-0]C8H10N4O4
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1243387-55-4]C10H8F3NO3
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[618-40-6]C7H10N2
1-Methyl-1-phenylhydrazine
[78056-67-4]C14H18N2
2-(1-Benzyl-4-piperidyl)acetonitrile
[862649-86-3]C12H8ClNO5S
3-[(4-Chlorophenyl)sulfonyl]-5-nitrophenol
[158387-00-9]C9H11N3O
3-Oxo-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanenitrile

GHS Hazard Statement:	H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P280, P305+P351+P338, and P337+P313
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-112759594-A	Substituted pyrazolopyrimidine TAM inhibitors and uses thereof	20191021
WO-2021032958-A1	Process for the preparation of a pyrimidino-diazepine derivative	20190816
WO-2021011913-A1	Tau-protein targeting compounds and associated methods of use	20190717
WO-2020142612-A1	Pyrido-pyrimidinone and pteridinone compounds as inhibitors of endoribonuclease inositol requiring enzyme i (ire i alpha) for the treatment of cancer diseases.	20190103
TW-202039466-A	Pyrido-pyrimidinone and pteridinone compounds and methods of use	20190103

Complexity:	287
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:	1
Isotope Atom Count:	0
Monoisotopic Mass:	247.12084340
Rotatable Bond Count:	4
Topological Polar Surface Area:	55.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7