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Cyclohexane-1,4-diyldimethanamine

CAT: 0804-HY-W087970Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-W087970Size:1 Each
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Description
Cyclohexane-1,4-diyldimethanamine is a PROTAC linker that can be used in the synthesis of PROTACs.
CAS Number
2549-93-1
UNSPSC
12352211
Hazard Statement
H311, H314
Target
PROTAC Linkers
Related Pathways
PROTAC
Field of Research
Cancer
Purity
99.93
Smiles
NCC1CCC(CN)CC1
Molecular Formula
C8H18N2
Molecular Weight
142.25
Precautions
H311, H314
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound2
Clinical Information
No Development Reported

Chemical Information

1,4-Cyclohexanedimethanamine
CAS Number2549-93-1
PubChem CID17354
IUPAC Name[4-(aminomethyl)cyclohexyl]methanamine
Molecular FormulaC8H18N2
Molecular Weight142.24
XLogP0.1
Topological Polar Surface Area52
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity73
SMILES
C1CC(CCC1CN)CN
InChI
InChI=1S/C8H18N2/c9-5-7-1-2-8(6-10)4-3-7/h7-8H,1-6,9-10H2
InChIKey
OXIKYYJDTWKERT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,4-Cyclohexanedimethanamine
CAS: 2549-93-1
CID: 17354
Formula: C8H18N2
MW: 142.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight142.24
XLogP30.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass142.146998583
Monoisotopic Mass142.146998583
Topological Polar Surface Area52 Ų
Heavy Atom Count10
Formal Charge0
Complexity73.3
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
GTR19276700-01Cyclohexane-1,4-diyldimethanamine
OR1051358-01[1,1'-Biphenyl]-4,4'-diyldimethanamine
OR1045722-01Cyclobutane-1,1-diyldimethanamine
OR1047022-01[1,1'-Biphenyl]-4,4'-diyldimethanamine dihydrochloride
OR1068737-01Adamantane-1,3-diyldimethanamine dihydrochloride
T206272-01Cyclohexane-1,4-diamine
TN9199-01Cyclohexane-1,4-diol
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