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WEB-1868

CAT: 1410-M27215-01Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M27215-01Size:1 mL x 10 mM in DMSO
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
WEB-1868 is an agent of biochemical.
CAS Number
96449-69-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
205.257
Molecular Formula
C12H15NO2
Notes
Research use only, not for human use.
Receptor
M1 muscarininc

Chemical Information

1-Benzyl-4-(hydroxymethyl)pyrrolidin-2-one
CAS Number96449-69-3
PubChem CID178824
IUPAC Name1-benzyl-4-(hydroxymethyl)pyrrolidin-2-one
Molecular FormulaC12H15NO2
Molecular Weight205.25
XLogP0.5
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity224
SMILES
C1C(CN(C1=O)CC2=CC=CC=C2)CO
InChI
InChI=1S/C12H15NO2/c14-9-11-6-12(15)13(8-11)7-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2
InChIKey
KJNWTBGLUKBKME-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Benzyl-4-(hydroxymethyl)pyrrolidin-2-one
CAS: 96449-69-3
CID: 178824
Formula: C12H15NO2
MW: 205.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight205.25
XLogP30.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass205.110278721
Monoisotopic Mass205.110278721
Topological Polar Surface Area40.5 Ų
Heavy Atom Count15
Formal Charge0
Complexity224
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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