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rac-Nicotine-13CD3

CAT: 0572-TRC-N412424-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N412424-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
909014-86-4
Synonyms
3-[1-(Methyl-13C-d3)-2-pyrrolidinyl]pyridine; racemic Nicotine (Methyl-13C-D3); rac-Nicotine-13CD3; rac-Nicotine-13C-D3 (13C-methyl-D3)
Hazard Statement
Toxic if swallowed; UN number: UN1654; Packing Group: II
Purity
>95% (HPLC)
Smiles
[2H][13C]([2H])([2H])N1CCCC1c2cccnc2
Molecular Formula
13C C9 2H3 H11 N2
Molecular Weight
166.24
InChI
InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/i1+1D3
Additionnal Information
IUPAC name: 3-[1-(trideuterio(1^{13}C)methyl)pyrrolidin-2-yl]pyridine
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

rac-Nicotine-13CD3
CAS Number909014-86-4
PubChem CID46783612
IUPAC Name3-[1-(trideuterio(113C)methyl)pyrrolidin-2-yl]pyridine
Molecular FormulaC10H14N2
Molecular Weight166.24
XLogP1.2
Topological Polar Surface Area16.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity147
SMILES
[2H][13C]([2H])([2H])N1CCCC1C2=CN=CC=C2
InChI
InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/i1+1D3
InChIKey
SNICXCGAKADSCV-KQORAOOSSA-N
Chemical Structure
2D Structure
2D structure of rac-Nicotine-13CD3
CAS: 909014-86-4
CID: 46783612
Formula: C10H14N2
MW: 166.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight166.24
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass166.137883528
Monoisotopic Mass166.137883528
Topological Polar Surface Area16.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity147
Isotope Atom Count4
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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