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L-Prolinamide-2,5,5-d3

CAT: 0572-TRC-P755976-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P755976-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1276197-55-7
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
NC([C@]1([2H])CCC([2H])([2H])N1)=O
Molecular Formula
C5H7D3N2O
Molecular Weight
117.16
InChI
InChI=1S/C5H10N2O/c6-5(8)4-2-1-3-7-4/h4,7H,1-3H2,(H2,6,8)/t4-/m0/s1/i3D2,4D
Additionnal Information
IUPAC name: (S)-pyrrolidine-2,5,5-d3-2-carboxamide
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

L-Prolinamide-2,5,5-D3
CAS Number1276197-55-7
PubChem CID154789990
IUPAC Name(2S)-2,5,5-trideuteriopyrrolidine-2-carboxamide
Molecular FormulaC5H10N2O
Molecular Weight117.16
XLogP-0.9
Topological Polar Surface Area55.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count8
Formal Charge0
Complexity103
SMILES
[2H][C@]1(CCC(N1)([2H])[2H])C(=O)N
InChI
InChI=1S/C5H10N2O/c6-5(8)4-2-1-3-7-4/h4,7H,1-3H2,(H2,6,8)/t4-/m0/s1/i3D2,4D
InChIKey
VLJNHYLEOZPXFW-KIZNEYSQSA-N
Chemical Structure
2D Structure
2D structure of L-Prolinamide-2,5,5-D3
CAS: 1276197-55-7
CID: 154789990
Formula: C5H10N2O
MW: 117.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight117.16
XLogP3-0.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass117.098143185
Monoisotopic Mass117.098143185
Topological Polar Surface Area55.1 Ų
Heavy Atom Count8
Formal Charge0
Complexity103
Isotope Atom Count3
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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453401-01L-Prolinamide-2,5,5-d3
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