Products for Research Use Only

2- (3-Chlorophenyl) piperazine

CAT: 0127-OR912572Size: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0127-OR912572Size:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
52385-79-2
MDL Number
MFCD00799218
Purity
95%
Smiles
Clc1cccc(c1)C2CNCCN2

Chemical Information

2-(3-Chlorophenyl)piperazine
CAS Number52385-79-2
PubChem CID5225638
IUPAC Name2-(3-chlorophenyl)piperazine
Molecular FormulaC10H13ClN2
Molecular Weight196.67
XLogP1.3
Topological Polar Surface Area24.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity163
SMILES
C1CNC(CN1)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C10H13ClN2/c11-9-3-1-2-8(6-9)10-7-12-4-5-13-10/h1-3,6,10,12-13H,4-5,7H2
InChIKey
XRVXSYWJPAAOBC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(3-Chlorophenyl)piperazine
CAS: 52385-79-2
CID: 5225638
Formula: C10H13ClN2
MW: 196.67
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight196.67
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass196.0767261
Monoisotopic Mass196.0767261
Topological Polar Surface Area24.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity163
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes