Products for Research Use Only
RegisterLogin

Nicotine Impurity C

CAT: 1596-AR-N01436-02Size: 50 UnitsDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1596-AR-N01436-02Size:50 Units
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
486-56-6
Synonyms
(S) -1-methyl-5- (pyridin-3-yl) pyrrolidin-2-one
Molecular Formula
C10H12N2O
Molecular Weight
176.22
API Name
Nicotine

Chemical Information

Cotinine

(-)-cotinine is an N-alkylpyrrolidine that consists of N-methylpyrrolidinone bearing a pyridin-3-yl substituent at position C-5 (the 5S-enantiomer). It is an alkaloid commonly found in Nicotiana tabacum. It has a role as an antidepressant, a biomarker, a plant metabolite and a human xenobiotic metabolite. It is a member of pyridines, a pyrrolidine alkaloid, a N-alkylpyrrolidine and a member of pyrrolidin-2-ones.

CAS Number486-56-6
PubChem CID854019
IUPAC Name(5S)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one
Molecular FormulaC10H12N2O
Molecular Weight176.21
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
CN1[C@@H](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/t9-/m0/s1
InChIKey
UIKROCXWUNQSPJ-VIFPVBQESA-N
Chemical Structure
2D Structure
2D structure of Cotinine
CAS: 486-56-6
CID: 854019
Formula: C10H12N2O
MW: 176.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight176.21
XLogP3-0.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass176.094963011
Monoisotopic Mass176.094963011
Topological Polar Surface Area33.2 Ų
Heavy Atom Count13
Formal Charge0
Complexity205
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
AR-N01471-01Nicotine Impurity 3
AR-N08607-01Nicotine Impurity 6
AR-N01474-01Nicotine Impurity 4
AR-N08611-01Nicotine Impurity 3
AR-A06536-01Anatabine (Nicotine EP Impurity A)
AR-N08638-01Nicotine Impurity 5 HCl
AR-N08051-01Nicotine USP Related Compound F (rac-Nicotine EP Impurity F)
AR-N08637-01Nicotine USP Related Compound A DiHCl (rac-Nicotine EP Impurity A DiHCl)
AR-N01423-01Nicotine
AR-A06540-01Anatabine-d4 DiHCl (Nicotine EP Impurity A-d4 DiHCl)

Alternative Products

CatalogName
RM-N090317-01Nicotine Impurity 13
RM-N090316-01Nicotine Impurity 12
RM-N090321-01Nicotine Impurity 21
RM-N090323-01Nicotine Impurity 23
RM-N090325-01Nicotine Impurity 25
RM-N090318-01Nicotine Impurity 14
RM-N090310-01Nicotine Impurity 10
RM-N090322-01Nicotine Impurity 22
RM-N090313-01Nicotine Impurity 11
RM-N090301-01Nicotine EP Impurity A

Popular Products