Trans-4-N-Boc-Aminomethyl-cyclohexanecarbonitrile

CAT: 0926-YTA92379-01Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-YTA92379-01Size:0.5 g

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CAS Number

473923-79-4

MDL Number

MFCD09749844

Smiles

CC (C) (C) OC (=O) NCC1CCC (CC1) C#N

Molecular Formula

C13H22N2O2

Molecular Weight

238.33 g/mol

Controlled

Chemical Information

tert-butyl N-[(4-cyanocyclohexyl)methyl]carbamate

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CAS Number	473923-79-4
PubChem CID	27281767
IUPAC Name	tert-butyl N-[(4-cyanocyclohexyl)methyl]carbamate
Molecular Formula	C13H22N2O2
Molecular Weight	238.33
XLogP	2.1
Topological Polar Surface Area	62.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	17
Formal Charge	0
Complexity	303

SMILES

CC(C)(C)OC(=O)NCC1CCC(CC1)C#N

InChI

InChI=1S/C13H22N2O2/c1-13(2,3)17-12(16)15-9-11-6-4-10(8-14)5-7-11/h10-11H,4-7,9H2,1-3H3,(H,15,16)

InChIKey

KOFJDBKWKCOOLP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 473923-79-4

CID: 27281767

Formula: C13H22N2O2

MW: 238.33

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	238.33
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	238.168127949
Monoisotopic Mass	238.168127949
Topological Polar Surface Area	62.1 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	303
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
UIA97584	Trans-1-Boc-4- (aminomethyl) -3-hydroxypiperidine
FB18927-01	4- (N-Boc-aminomethyl) aniline
NQC77203-01	Trans-3- (Boc-aminomethyl) cyclobutanecarboxylic acid
HUB62072-01	4- (Boc-aminomethyl) pyrazole
IA71533-01	Trans-4- (Aminomethyl) cyclohexanecarboxylic acid
SDC65769-01	4- (Trifluoromethyl) cyclohexanecarbonitrile
FB50819	3-N-Boc-aminomethyl pyrrolidine
FB51293	2- (N-Boc-aminomethyl) azetidine
FA150785-01	2-Aminomethyl-4-boc-morpholine
FB48378-01	Boc-4- (aminomethyl) -L-phenylalanine

Catalog	Name
sc-272663	Trans-4-N-Boc-Aminomethyl-cyclohexanecarbonitrile
sc-264453	Trans-N-Boc-4-Aminomethyl-cyclohexanol
sc-272664	Trans-4-N-Boc-aminomethyl-cyclohexanecarboxylic acid
265395-01	Trans-4- (Boc-aminomethyl) cyclohexanemethanamine
sc-264445A	Trans-4- (Boc-aminomethyl) -cyclohexanemethanamine
242434-01	Trans-4- (Boc-aminomethyl) cyclohexanemethanamine 99+%
OR1036800-01	Trans-3- (Boc-aminomethyl) cyclobutylamine
OR317111	Trans-3- (Boc-aminomethyl) cyclobutanol
sc-253872	1- (N-Boc-aminomethyl) -4- (aminomethyl) benzene
sc-286827	Trans-2-Hydroxy-cyclohexanecarbonitrile