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1- (Cyclobutylmethyl) piperazine

CAT: 0926-HDA53454-01Size: 0.5 gDry Ice: NoHazardous: No
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CAT#:0926-HDA53454-01Size:0.5 g
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CAS Number
82534-54-1
MDL Number
MFCD04605372
Smiles
C1CC (C1) CN2CCNCC2
Molecular Formula
C9H18N2
Molecular Weight
154.25 g/mol
Controlled
No

Chemical Information

1-(Cyclobutylmethyl)piperazine
CAS Number82534-54-1
PubChem CID952318
IUPAC Name1-(cyclobutylmethyl)piperazine
Molecular FormulaC9H18N2
Molecular Weight154.25
XLogP0.9
Topological Polar Surface Area15.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity115
SMILES
C1CC(C1)CN2CCNCC2
InChI
InChI=1S/C9H18N2/c1-2-9(3-1)8-11-6-4-10-5-7-11/h9-10H,1-8H2
InChIKey
LYIJMNZARQYLPL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(Cyclobutylmethyl)piperazine
CAS: 82534-54-1
CID: 952318
Formula: C9H18N2
MW: 154.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight154.25
XLogP30.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass154.146998583
Monoisotopic Mass154.146998583
Topological Polar Surface Area15.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity115
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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