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3-Quinuclidinol-d7

CAT: 0572-TRC-Q795782-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-Q795782-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2708283-05-8
Synonyms
2,2,3,6,6,7,7-Heptadeuterioquinuclidin-3-ol; 3-Quinuclidinol-d7; 3-Quinuclidinol-2,2,3,6,6,7,7-D7; 2,2,3,6,6,7,7-Heptadeuterio-1-azabicyclo[2.2.2]octan-3-ol; 1-Azabicyclo[2.2.2]octan-3-ol-2,2,3,6,6,7,7-d7; (±)-3-Quinuclidinol-2,2,3,6,6,7,7-d7
Hazard Statement
Causes severe skin burns and eye damage; UN number: UN3263; Packing Group: II
Smiles
[2H]C1([2H])CC2CC([2H])([2H])N1C([2H])([2H])C2([2H])O
Molecular Formula
C7 D7 H6 N O
Molecular Weight
134.2274
InChI
InChI=1S/C7H13NO/c9-7-5-8-3-1-6(7)2-4-8/h6-7,9H,1-5H2/i3D2,4D2,5D2,7D
Additionnal Information
IUPAC name: 2,2,3,6,6,7,7-heptadeuterio-1-azabicyclo[2.2.2]octan-3-ol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

(+/-)-3-Quinuclidinol-2,2,3,6,6,7,7-D7
CAS Number2708283-05-8
PubChem CID162343669
IUPAC Name2,2,3,6,6,7,7-heptadeuterio-1-azabicyclo[2.2.2]octan-3-ol
Molecular FormulaC7H13NO
Molecular Weight134.23
XLogP0.2
Topological Polar Surface Area23.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity107
SMILES
[2H]C1(CC2CC(N1C(C2([2H])O)([2H])[2H])([2H])[2H])[2H]
InChI
InChI=1S/C7H13NO/c9-7-5-8-3-1-6(7)2-4-8/h6-7,9H,1-5H2/i3D2,4D2,5D2,7D
InChIKey
IVLICPVPXWEGCA-VNNFUXIKSA-N
Chemical Structure
2D Structure
2D structure of (+/-)-3-Quinuclidinol-2,2,3,6,6,7,7-D7
CAS: 2708283-05-8
CID: 162343669
Formula: C7H13NO
MW: 134.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight134.23
XLogP30.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass134.143651260
Monoisotopic Mass134.143651260
Topological Polar Surface Area23.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity107
Isotope Atom Count7
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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