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Ethyl trans-4- (aminomethyl) cyclohexanecarboxylate

CAT: 0804-HY-W236276Size: 1 EachDry Ice: NoHazardous: No
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Description
Ethyl trans-4- (aminomethyl) cyclohexanecarboxylate is a PROTAC linker that can be used in the synthesis of PROTACs.
CAS Number
35879-53-9
UNSPSC
12352211
Hazard Statement
H302
Target
PROTAC Linkers
Related Pathways
PROTAC
Field of Research
Cancer
Smiles
C(OCC)(=O)[C@H]1CC[C@H](CN)CC1
Molecular Formula
C10H19NO2
Molecular Weight
185.27
Precautions
P264-P270-P330-P501
Shipping Conditions
Room temperature
Scientific Category
Reference compound2
Clinical Information
No Development Reported

Chemical Information

Ethyl 4-(aminomethyl)cyclohexane-1-carboxylate
CAS Number35879-53-9
PubChem CID11535692
IUPAC Nameethyl 4-(aminomethyl)cyclohexane-1-carboxylate
Molecular FormulaC10H19NO2
Molecular Weight185.26
XLogP1
Topological Polar Surface Area52.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count13
Formal Charge0
Complexity162
SMILES
CCOC(=O)C1CCC(CC1)CN
InChI
InChI=1S/C10H19NO2/c1-2-13-10(12)9-5-3-8(7-11)4-6-9/h8-9H,2-7,11H2,1H3
InChIKey
YKPFISPUYINSAF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 4-(aminomethyl)cyclohexane-1-carboxylate
CAS: 35879-53-9
CID: 11535692
Formula: C10H19NO2
MW: 185.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight185.26
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass185.141578849
Monoisotopic Mass185.141578849
Topological Polar Surface Area52.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity162
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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CatalogName
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Alternative Products

CatalogName
GTR19275469-01Ethyl trans-4- (aminomethyl) cyclohexanecarboxylate
EBA27588Methyl trans-4- (Aminomethyl) cyclohexanecarboxylate Hydrochloride
sc-272672Trans-Methyl 4-aminomethyl-cyclohexanecarboxylate HCl
OR1007042-01Trans-Ethyl 4- (hydroxymethyl) cyclohexanecarboxylate
sc-2678464'-Cyanobiphenyl-4-yl trans-4-ethyl-cyclohexanecarboxylate
OR305462Ethyl trans-4- (propan-2-yloxy) cyclohexanecarboxylate
sc-489230Methyl 4- (Aminomethyl) cyclohexanecarboxylate Hydrochloride
GTR19267411-01Ethyl 4- (cyclopropylamino) cyclohexanecarboxylate
sc-327408Ethyl 4- (isocyanatomethyl) cyclohexanecarboxylate
TYD-03492-01Cis-ethyl 4- (cyclopropylamino) cyclohexanecarboxylate

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