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Propargyl- (trans) -cyclohexanediamine-Boc

CAT: 0804-HY-W038812Size: 1 EachDry Ice: NoHazardous: No
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Description
Propargyl- (trans) -cyclohexanediamine-Boc is a PROTAC linker that can be used in the synthesis of PROTACs.
CAS Number
1313279-47-8
UNSPSC
12352211
Hazard Statement
H302-H315-H319
Target
PROTAC Linkers
Related Pathways
PROTAC
Field of Research
Cancer
Smiles
N(C(OC(C)(C)C)=O)[C@H]1CC[C@H](CC#N)CC1
Molecular Formula
C13H22N2O2
Molecular Weight
238.33
Precautions
P264-P270-P280-P302+P352-P330-P362+P364-P501
Shipping Conditions
Room temperature
Scientific Category
Reference compound2
Clinical Information
No Development Reported

Chemical Information

Carbamic acid, N-[trans-4-(cyanomethyl)cyclohexyl]-, 1,1-dimethylethyl ester
CAS Number1313279-47-8
PubChem CID67323304
IUPAC Nametert-butyl N-[4-(cyanomethyl)cyclohexyl]carbamate
Molecular FormulaC13H22N2O2
Molecular Weight238.33
XLogP2.1
Topological Polar Surface Area62.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count17
Formal Charge0
Complexity303
SMILES
CC(C)(C)OC(=O)NC1CCC(CC1)CC#N
InChI
InChI=1S/C13H22N2O2/c1-13(2,3)17-12(16)15-11-6-4-10(5-7-11)8-9-14/h10-11H,4-8H2,1-3H3,(H,15,16)
InChIKey
FIWFOACIVWBZSW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Carbamic acid, N-[trans-4-(cyanomethyl)cyclohexyl]-, 1,1-dimethylethyl ester
CAS: 1313279-47-8
CID: 67323304
Formula: C13H22N2O2
MW: 238.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight238.33
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass238.168127949
Monoisotopic Mass238.168127949
Topological Polar Surface Area62.1 Ų
Heavy Atom Count17
Formal Charge0
Complexity303
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
GTR19276287-012-Propargyl- (trans) -4-cyclohexanediamine hydrochloride
sc-264452ATrans-N-Boc-1,2-Cyclohexanediamine
JH179954TRANS-N-BOC-1,4-CYCLOHEXANEDIAMINE
239999-01N-Boc-trans-1,4-cyclohexanediamine
GTR19276523-014-Boc- (trans) -Cyclohexanediamine-2-ethyl acetate
OR1038345-01Trans-N-Boc-1,4-cyclohexanediamine hydrochloride
TNC00289(1R,2R)-trans-N-Boc-1,2-cyclohexanediamine
T3331(1R,2R) -Trans-N-Boc-1,2-Cyclohexanediamine
MBS3608032-01(1R, 2R)-Trans-N-Boc-1, 2-Cyclohexanediamine
263682-01(1S,2S) -trans-N-Boc-1,2-cyclohexanediamine

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