N-Cbz-4-aminocyclohexanone

CAT: 0024-sc-255353Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-255353Size:1 g

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CAS Number

16801-63-1

Chemical Information

Benzyl (4-oxocyclohexyl)carbamate

CAS Number	16801-63-1
PubChem CID	14615292
IUPAC Name	benzyl N-(4-oxocyclohexyl)carbamate
Molecular Formula	C14H17NO3
Molecular Weight	247.29
XLogP	1.7
Topological Polar Surface Area	55.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	18
Formal Charge	0
Complexity	287

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)

InChIKey

VHXBIBFCJISKFA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 16801-63-1

CID: 14615292

Formula: C14H17NO3

MW: 247.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	247.29
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	247.12084340
Monoisotopic Mass	247.12084340
Topological Polar Surface Area	55.4 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	287
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-269695	N-4-Fmoc-aminocyclohexanone
sc-277557	4-N-Boc-aminocyclohexanone
sc-277557A	4-N-Boc-aminocyclohexanone
sc-267683	4-N-Cbz-aminomethylaniline
sc-266793	3-N-Boc-Aminocyclohexanone
sc-267682	4-N-Cbz-aminomethyl-cyclohexone
sc-269300	L-N- (4-N-Cbz-piperidino) proline
sc-269694	N-4-Cbz-2-piperazinecarboxylic acid
sc-267681	4-N-Cbz-2-Hydroxymethyl-piperazine
sc-264912	1-N-Cbz-4-hydroxymethyl-piperidine

Catalog	Name
OR301374-01	4-N-Cbz-aminocyclohexanone
FB12555	4-N-Boc-aminocyclohexanone
OR951103-01	4-N-Alloc-aminocyclohexanone
abx187909-01	4-Aminocyclohexanone Hcl
AR-P02474-01	4-aminocyclohexanone hydrochloride
239930-01	N-4-Boc-aminocyclohexanone 98+% (GC)
265715-01	3-N-Boc-aminocyclohexanone
OR1066581-01	(S) -N-Boc-2-aminocyclohexanone
OR480604-01	N-Cbz-4-hydroxycyclohexane
C1780-01	N-Cbz-4-Piperidinecarboxylicacid