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Depropylamino Hydroxy Propafenone-d5

CAT: 0572-TRC-D288637-2.5MGSize: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D288637-2.5MGSize:2.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1346598-59-1
Synonyms
1-[2-[2,3-Dihydroxy(propoxy-d5)]phenyl]-3-phenyl-1-propanone;
Hazard Statement
No Data Available
Smiles
[2H]C([2H])(O)C([2H])(O)C([2H])([2H])Oc1ccccc1C(=O)CCc2ccccc2
Molecular Formula
C18H15D5O4
Molecular Weight
305.38
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Depropylamino Hydroxy Propafenone-d5
CAS Number1346598-59-1
PubChem CID71315562
IUPAC Name1-[2-(1,1,2,3,3-pentadeuterio-2,3-dihydroxypropoxy)phenyl]-3-phenylpropan-1-one
Molecular FormulaC18H20O4
Molecular Weight305.4
XLogP2.2
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count22
Formal Charge0
Complexity325
SMILES
[2H]C([2H])(C([2H])(C([2H])([2H])OC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O)O
InChI
InChI=1S/C18H20O4/c19-12-15(20)13-22-18-9-5-4-8-16(18)17(21)11-10-14-6-2-1-3-7-14/h1-9,15,19-20H,10-13H2/i12D2,13D2,15D
InChIKey
KRSTZDUMPGTWJG-YZYYPZMPSA-N
Chemical Structure
2D Structure
2D structure of Depropylamino Hydroxy Propafenone-d5
CAS: 1346598-59-1
CID: 71315562
Formula: C18H20O4
MW: 305.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight305.4
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass305.16754284
Monoisotopic Mass305.16754284
Topological Polar Surface Area66.8 Ų
Heavy Atom Count22
Formal Charge0
Complexity325
Isotope Atom Count5
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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