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rac trans-4’-Hydroxy Phencyclidine-d4

CAT: 0572-TRC-P336027-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P336027-100MGSize:100 mg
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CAS Number
1794814-55-3
Hazard Statement
No Data Available
Smiles
[2H]C1([2H])CCCC([2H])([2H])N1[C@@]2(CC[C@@H](O)CC2)c3ccccc3
Molecular Formula
C17 D4 H21 N O
Molecular Weight
263.411
InChI
InChI=1S/C17H25NO/c19-16-9-11-17(12-10-16,15-7-3-1-4-8-15)18-13-5-2-6-14-18/h1,3-4,7-8,16,19H,2,5-6,9-14H2/t16-,17-/i13D2,14D2
Additionnal Information
IUPAC name: 4-phenyl-4-(2,2,6,6-tetradeuteriopiperidin-1-yl)cyclohexan-1-ol
Shipping Conditions
Room Temperature

Chemical Information

rac trans-4'-Hydroxy Phencyclidine-d4
CAS Number1794814-55-3
PubChem CID71751634
IUPAC Name4-phenyl-4-(2,2,6,6-tetradeuteriopiperidin-1-yl)cyclohexan-1-ol
Molecular FormulaC17H25NO
Molecular Weight263.41
XLogP2.5
Topological Polar Surface Area23.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity271
SMILES
[2H]C1(CCCC(N1C2(CCC(CC2)O)C3=CC=CC=C3)([2H])[2H])[2H]
InChI
InChI=1S/C17H25NO/c19-16-9-11-17(12-10-16,15-7-3-1-4-8-15)18-13-5-2-6-14-18/h1,3-4,7-8,16,19H,2,5-6,9-14H2/i13D2,14D2
InChIKey
KPRUAZBLIREHPD-RYIWKTDQSA-N
Chemical Structure
2D Structure
2D structure of rac trans-4'-Hydroxy Phencyclidine-d4
CAS: 1794814-55-3
CID: 71751634
Formula: C17H25NO
MW: 263.41
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight263.41
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass263.218721405
Monoisotopic Mass263.218721405
Topological Polar Surface Area23.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity271
Isotope Atom Count4
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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