Products for Research Use Only

1- (3-Chlorophenyl) piperazine-d8

CAT: 0926-PXB92343-01Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-PXB92343-01Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1189923-43-0
Smiles
C1CN (CCN1) C2=CC (=CC=C2) Cl
Molecular Formula
C10H13ClN2
Molecular Weight
204.72 g/mol
Controlled
Yes

Chemical Information

1-(3-Chlorophenyl)piperazine-d8
CAS Number1189923-43-0
PubChem CID46780997
IUPAC Name1-(3-chlorophenyl)-2,2,3,3,5,5,6,6-octadeuteriopiperazine
Molecular FormulaC10H13ClN2
Molecular Weight204.72
XLogP1.7
Topological Polar Surface Area15.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity157
SMILES
[2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])C2=CC(=CC=C2)Cl)([2H])[2H])[2H]
InChI
InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2/i4D2,5D2,6D2,7D2
InChIKey
VHFVKMTVMIZMIK-DUSUNJSHSA-N
Chemical Structure
2D Structure
2D structure of 1-(3-Chlorophenyl)piperazine-d8
CAS: 1189923-43-0
CID: 46780997
Formula: C10H13ClN2
MW: 204.72
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight204.72
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass204.1269401
Monoisotopic Mass204.1269401
Topological Polar Surface Area15.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity157
Isotope Atom Count8
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes