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(+) -Propoxate

CAT: 0931-TYD-02569-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TYD-02569-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
61045-93-0
Target
Others
Related Pathways
Others
Bioactivity
(+) -Propoxate has a structure similar to that of known anesthetics.
Smiles
[C@H](C)(N1C(C(OCCC)=O)=CN=C1)C2=CC=CC=C2
Molecular Formula
C15H18N2O2
Molecular Weight
258.32
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Propoxate, (R)-
CAS Number61045-93-0
PubChem CID6993762
IUPAC Namepropyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
Molecular FormulaC15H18N2O2
Molecular Weight258.32
XLogP3.6
Topological Polar Surface Area44.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count19
Formal Charge0
Complexity290
SMILES
CCCOC(=O)C1=CN=CN1[C@H](C)C2=CC=CC=C2
InChI
InChI=1S/C15H18N2O2/c1-3-9-19-15(18)14-10-16-11-17(14)12(2)13-7-5-4-6-8-13/h4-8,10-12H,3,9H2,1-2H3/t12-/m1/s1
InChIKey
LKGPZAQFNYKISK-GFCCVEGCSA-N
Chemical Structure
2D Structure
2D structure of Propoxate, (R)-
CAS: 61045-93-0
CID: 6993762
Formula: C15H18N2O2
MW: 258.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight258.32
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass258.136827821
Monoisotopic Mass258.136827821
Topological Polar Surface Area44.1 Ų
Heavy Atom Count19
Formal Charge0
Complexity290
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GTR19252923-01(+) -Propoxate
HAA03658-01Propoxate
HAA03661-01Propoxate HCl
HAA03659Propoxate – 1mg/ml in methanol

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