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Trans-4- (Boc-aminomethyl) -cyclohexanemethanamine

CAT: 0024-sc-264445Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-264445Size:100 mg
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CAS Number
166168-16-7

Chemical Information

tert-butyl N-((4-(aminomethyl)cyclohexyl)methyl)carbamate
CAS Number166168-16-7
PubChem CID2756046
IUPAC Nametert-butyl N-[[4-(aminomethyl)cyclohexyl]methyl]carbamate
Molecular FormulaC13H26N2O2
Molecular Weight242.36
XLogP1.7
Topological Polar Surface Area64.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count17
Formal Charge0
Complexity240
SMILES
CC(C)(C)OC(=O)NCC1CCC(CC1)CN
InChI
InChI=1S/C13H26N2O2/c1-13(2,3)17-12(16)15-9-11-6-4-10(8-14)5-7-11/h10-11H,4-9,14H2,1-3H3,(H,15,16)
InChIKey
NYXOBVVHJZENCO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of tert-butyl N-((4-(aminomethyl)cyclohexyl)methyl)carbamate
CAS: 166168-16-7
CID: 2756046
Formula: C13H26N2O2
MW: 242.36
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight242.36
XLogP31.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass242.199428076
Monoisotopic Mass242.199428076
Topological Polar Surface Area64.4 Ų
Heavy Atom Count17
Formal Charge0
Complexity240
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
265395-01Trans-4- (Boc-aminomethyl) cyclohexanemethanamine
242434-01Trans-4- (Boc-aminomethyl) cyclohexanemethanamine 99+%
YTA92379-01Trans-4-N-Boc-Aminomethyl-cyclohexanecarbonitrile
UIA97584Trans-1-Boc-4- (aminomethyl) -3-hydroxypiperidine
OR1036800-01Trans-3- (Boc-aminomethyl) cyclobutylamine
OR317111Trans-3- (Boc-aminomethyl) cyclobutanol
JBA14756-014-Methyl-cyclohexanemethanamine
NQC77203-01Trans-3- (Boc-aminomethyl) cyclobutanecarboxylic acid
GTR19276503-01Trans-4- (Aminomethyl) cyclohexanemethanol
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