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1-Benzoylpiperazine

CAT: 0013-GTR19250919Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19250919Size:500 mg
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Description
1-Benzoylpiperazine
CAS Number
13754-38-6
Smiles
O=C (N1CCNCC1) C1=CC=CC=C1
Molecular Formula
C11H14N2O
Molecular Weight
190.24
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-Benzoylpiperazine
CAS Number13754-38-6
PubChem CID762654
IUPAC Namephenyl(piperazin-1-yl)methanone
Molecular FormulaC11H14N2O
Molecular Weight190.24
XLogP-0.1
Topological Polar Surface Area32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity193
SMILES
C1CN(CCN1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C11H14N2O/c14-11(10-4-2-1-3-5-10)13-8-6-12-7-9-13/h1-5,12H,6-9H2
InChIKey
VUNXBQRNMNVUMV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Benzoylpiperazine
CAS: 13754-38-6
CID: 762654
Formula: C11H14N2O
MW: 190.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight190.24
XLogP3-0.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass190.110613074
Monoisotopic Mass190.110613074
Topological Polar Surface Area32.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity193
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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