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S-(-)-Cotinine Perchlorate

CAT: 0572-TRC-C725015-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C725015-250MGSize:250 mg
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CAS Number
1217692-15-3
Synonyms
(-)-Cotinine Perchlorate; S-(-)-Cotinine Perchlorate
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
CN1[C@@H](CCC1=O)c2cccnc2.OCl(=O)(=O)=O
Molecular Formula
C10 H12 N2 O . Cl H O4
Molecular Weight
276.67
InChI
InChI=1S/C10H12N2O.ClHO4/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8;2-1(3,4)5/h2-3,6-7,9H,4-5H2,1H3;(H,2,3,4,5)/t9-;/m0./s1
Additionnal Information
IUPAC name: (5S)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one;perchloric acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

S-(-)-Cotinine Perchlorate
CAS Number1217692-15-3
PubChem CID71314983
IUPAC Name(5S)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one;perchloric acid
Molecular FormulaC10H13ClN2O5
Molecular Weight276.67
Topological Polar Surface Area105
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity319
SMILES
CN1[C@@H](CCC1=O)C2=CN=CC=C2.OCl(=O)(=O)=O
InChI
InChI=1S/C10H12N2O.ClHO4/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8;2-1(3,4)5/h2-3,6-7,9H,4-5H2,1H3;(H,2,3,4,5)/t9-;/m0./s1
InChIKey
BCPGJSNBNYRZDX-FVGYRXGTSA-N
Chemical Structure
2D Structure
2D structure of S-(-)-Cotinine Perchlorate
CAS: 1217692-15-3
CID: 71314983
Formula: C10H13ClN2O5
MW: 276.67
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight276.67
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass276.0512992
Monoisotopic Mass276.0512992
Topological Polar Surface Area105 Ų
Heavy Atom Count18
Formal Charge0
Complexity319
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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sc-220000S- (-) -Cotinine Perchlorate
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MBS6104897-01S-(-)-Cotinine Perchlorate ((S)-(-)-1-Methyl-5-(3-pyridiyl)-2-pyrrolidinone, Perchlorate)
467849-01Trans-3'-Hydroxy Cotinine Perchlorate
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