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3-Quinuclidinol

CAT: 0572-TRC-Q795780-5GSize: 5 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-Q795780-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1619-34-7
Synonyms
3-Quinuclidinol
Hazard Statement
Causes severe skin burns and eye damage; UN number: UN3263; Packing Group: II
Purity
>95% (HPLC)
Smiles
OC1CN2CCC1CC2
Molecular Formula
C7 H13 N O
Molecular Weight
127.18
InChI
InChI=1S/C7H13NO/c9-7-5-8-3-1-6(7)2-4-8/h6-7,9H,1-5H2
Additionnal Information
IUPAC name: 1-azabicyclo[2.2.2]octan-3-ol
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

(+-)-3-Quinuclidinol

3-quinuclidinol is quinuclidine in which a hydrogen atom at position 3 is substituted by a hydroxy group. It is a member of quinuclidines, a tertiary amine and a secondary alcohol.

CAS Number1619-34-7
PubChem CID15381
IUPAC Name1-azabicyclo[2.2.2]octan-3-ol
Molecular FormulaC7H13NO
Molecular Weight127.18
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
C1CN2CCC1C(C2)O
InChI
InChI=1S/C7H13NO/c9-7-5-8-3-1-6(7)2-4-8/h6-7,9H,1-5H2
InChIKey
IVLICPVPXWEGCA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (+-)-3-Quinuclidinol
CAS: 1619-34-7
CID: 15381
Formula: C7H13NO
MW: 127.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight127.18
XLogP30.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass127.099714038
Monoisotopic Mass127.099714038
Topological Polar Surface Area23.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity107
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

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CatalogName
1619-34-73-Quinuclidinol
FQ06985-01S- (+) -3-Quinuclidinol
288478-01R- (-) -3-Quinuclidinol
Q01300-013-Quinuclidinol 98%
FQ02772-01(R) - (-) -3-Quinuclidinol
426646-013-Quinuclidinol-d7
MBS6054497-01(R)-(-)-3-Quinuclidinol
Q01310-013-Quinuclidinol hydrochloride
AR-S09339-01(R) -3-Quinuclidinol Hydrochloride
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