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rac-Cotinine-d3

CAT: 0572-TRC-C725005-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C725005-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
110952-70-0
Synonyms
rac-Cotinine-D3; 1-(Methyl-d3)-5-(3-pyridinyl)-2-pyrrolidinone; (+/-)-1-(Methyl-d3)-5-(3-pyridinyl)-2-pyrrolidinone
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
[2H]C([2H])([2H])N1C(CCC1=O)c2cccnc2
Molecular Formula
C10 2H3 H9 N2 O
Molecular Weight
179.23
InChI
InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3/i1D3
Additionnal Information
IUPAC name: 5-pyridin-3-yl-1-(trideuteriomethyl)pyrrolidin-2-one
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

rac-Cotinine-d3
CAS Number110952-70-0
PubChem CID16213423
IUPAC Name5-pyridin-3-yl-1-(trideuteriomethyl)pyrrolidin-2-one
Molecular FormulaC10H12N2O
Molecular Weight179.23
XLogP-0.3
Topological Polar Surface Area33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity205
SMILES
[2H]C([2H])([2H])N1C(CCC1=O)C2=CN=CC=C2
InChI
InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3/i1D3
InChIKey
UIKROCXWUNQSPJ-FIBGUPNXSA-N
Chemical Structure
2D Structure
2D structure of rac-Cotinine-d3
CAS: 110952-70-0
CID: 16213423
Formula: C10H12N2O
MW: 179.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight179.23
XLogP3-0.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass179.113793248
Monoisotopic Mass179.113793248
Topological Polar Surface Area33.2 Ų
Heavy Atom Count13
Formal Charge0
Complexity205
Isotope Atom Count3
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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Alternative Products

CatalogName
CS-O-01225Rac-Cotinine-d3
HY-B1178S-01(Rac) -Cotinine-d3
sc-212727Rac Cotinine-d3
007057Rac-Cotinine-13C, d3
MBS6017986-01rac-Cotinine-13C,d3
sc-219817Rac Cotinine-13C, d3
HY-W588194S(rac) -Cotinine-N-β-Glucuronide-d3
166258Rac-Cotinine-d3 see C725005
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