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1-Cyclohexylpiperazine

CAT: 0572-TRC-C988102-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C988102-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
17766-28-8
Synonyms
1-Cyclohexylpiperazine; 4-Cyclohexylpiperazine; N-Cyclohexylpiperazine
Hazard Statement
No Data Available
Smiles
COC1=CC(=O)NC1
Molecular Formula
C5 H7 N O2
Molecular Weight
113.115
InChI
InChI=1S/C5H7NO2/c1-8-4-2-5(7)6-3-4/h2H,3H2,1H3,(H,6,7)
Additionnal Information
IUPAC name: 3-methoxy-1,2-dihydropyrrol-5-one
Shipping Conditions
Room Temperature

Chemical Information

1-Cyclohexylpiperazine

structure in first source

CAS Number17766-28-8
PubChem CID87298
IUPAC Name1-cyclohexylpiperazine
Molecular FormulaC10H20N2
Molecular Weight168.28
XLogP1.4
Topological Polar Surface Area15.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity124
SMILES
C1CCC(CC1)N2CCNCC2
InChI
InChI=1S/C10H20N2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12/h10-11H,1-9H2
InChIKey
XPDSXKIDJNKIQY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Cyclohexylpiperazine
CAS: 17766-28-8
CID: 87298
Formula: C10H20N2
MW: 168.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight168.28
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass168.162648646
Monoisotopic Mass168.162648646
Topological Polar Surface Area15.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity124
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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