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Phencyclidine-d5 Hydrochloride

CAT: 0572-TRC-P295502-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P295502-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
60124-79-0
Synonyms
Piperidine, 1-[1-(phenyl-d5)cyclohexyl]-, hydrochloride (9CI); 1-[1-(Phenyl-d5)cyclohexyl]piperidine hydrochloride; Phencyclidine-D5 (phenyl D5) hydrochloride; PCP-d5 hydrochloride; PCP-D5 (phenyl D5) hydrochloride
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Smiles
Cl.[2H]c1c([2H])c([2H])c(c([2H])c1[2H])C2(CCCCC2)N3CCCCC3
Molecular Formula
C17 D5 H20 N . Cl H
Molecular Weight
284.8788
InChI
InChI=1S/C17H25N.ClH/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18;/h1,4-5,10-11H,2-3,6-9,12-15H2;1H/i1D,4D,5D,10D,11D;
Additionnal Information
IUPAC name: 1-[1-(2,3,4,5,6-pentadeuteriophenyl)cyclohexyl]piperidine;hydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Phencyclidine, deuterated
CAS Number60124-79-0
PubChem CID12461184
IUPAC Name1-[1-(2,3,4,5,6-pentadeuteriophenyl)cyclohexyl]piperidine
Molecular FormulaC17H25N
Molecular Weight248.42
XLogP3.6
Topological Polar Surface Area3.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity242
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])C2(CCCCC2)N3CCCCC3)[2H])[2H]
InChI
InChI=1S/C17H25N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11H,2-3,6-9,12-15H2/i1D,4D,5D,10D,11D
InChIKey
JTJMJGYZQZDUJJ-ZWYOJXJXSA-N
Chemical Structure
2D Structure
2D structure of Phencyclidine, deuterated
CAS: 60124-79-0
CID: 12461184
Formula: C17H25N
MW: 248.42
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight248.42
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass248.230083531
Monoisotopic Mass248.230083531
Topological Polar Surface Area3.2 Ų
Heavy Atom Count18
Formal Charge0
Complexity242
Isotope Atom Count5
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes