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Impurities and reference standards

Cotinine

Also known as (-)-Cotinine, Cotinina, Cotininum

CAS 486-56-6Formula C10H12N2OMolar mass 176.22 g/molEC 207-634-9
GHS signal word: Warning. Pictograms: Harmful or irritant 72 suppliers listed
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Cotinine chemical structure, C10H12N2O, CAS 486-56-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
486-56-6
Formula
C10H12N2O
Appearance
Viscous oil
Boiling point
210 to 211
HS code
293979
Category
Impurities and reference standards
Illustrative photo, closed blue jerry cans in a warehouse
Typical packagingIllustrative packaging image, not the actual product

What is Cotinine?

Plain description, key identifiers and synonyms

(-)-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.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(5S)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one
CAS number
486-56-6 CAS number cross-checked
EC number
207-634-9
Molecular formula
C10H12N2O
UNII
K5161X06LL
MDL number
MFCD00077696
InChIKey
UIKROCXWUNQSPJ-VIFPVBQESA-N
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
Canonical SMILES
CN1C(=O)CCC1c1cccnc1
Isomeric SMILES
CN1[C@@H](CCC1=O)C2=CN=CC=C2

Synonyms

  • (-)-Cotinine
  • Cotinina
  • Cotininum
  • (S)-(-)-Cotinine
  • (S)-Cotinine
  • (5S)-1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one
  • S-(-)-Cotinine
  • (5S)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one
  • (S)-1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone
  • 2-Pyrrolidinone, 1-methyl-5-(3-pyridinyl)-, (5S)-
  • 2-Pyrrolidinone, 1-methyl-5-(3-pyridinyl)-, (S)-
  • n-methyl-2-(3-pyridyl)-5-pyrrolidone
  • Scotine
  • 1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone
  • 1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one
  • (S)-1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one
  • Nicotine EP Impurity C
  • Cotinine (-)
  • (5S)-1-methyl-5-(3-pyridyl)pyrrolidin-2-one
  • (-)-Cotinine, 98%
  • Sdccgmls-0066565.p001
  • (5~{S})-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one
  • S-(-)-Cotinine (1.0 mg/mL in Methanol)
  • (5S)-1-methyl-5-(3-pyridinyl)-2-pyrrolidinone
  • (-)-Cotinine, (S)-Cotinine, NIH-10498
Show all 30 synonyms
  • Cotinine (Standard)
  • NIH 10498
  • (S)-1-Methyl-5-(3-pyridyl)-2-pyrrolidinone
  • 5-24-02-00504 (Beilstein Handbook Reference)
  • NIH 10498(Cotinine)?

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

Appearance
Viscous oilexp.
Boiling point
210 to 211exp.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
176.22 g/molcalc.
Exact mass
176.095 Dacalc.
LogP (octanol/water)
1.37calc.
Topological polar surface area
33.2 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
1calc.
Heavy atoms
13calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.4calc.
Formal charge
0calc.
Stereocentres
1calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1CCC(c2cccnc2)N1

O=C1CCC(c2cccnc2)N1

2 rings, 12 atoms, the Norcotinine ring system.

102 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302Harmful if swallowed.
  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
Precautionary statements (19)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Cotinine suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 72 suppliers
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Where suppliers are based

72 suppliers in 13 countries

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Cotinine price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

The N-glucuronide conjugate of cotinine is a major urinary metabolite of nicotine. It thus serves as a biomarker of exposure to tobacco smoking. It has CNS stimulating properties.

Therapeutic category: Antidepressant.

Use classes: Pharmaceuticals.

Pharmacological actions

  • Indicators and Reagents

Roles

  • animal metabolite
  • antidepressant
  • biomarker
  • central nervous system drug
  • eukaryotic metabolite
  • human metabolite
  • human xenobiotic metabolite
  • indicator
  • mammalian metabolite
  • metabolite
  • pharmaceutical
  • plant metabolite
  • psychotropic drug
  • xenobiotic metabolite

Pharmacology

Cotinine is the major metabolite of nicotine.

How it is made

Isolated from autoxidized nicotine, nicotine treated with hydrogen peroxide, from nicotine irradiated with ultraviolet light.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Cotinine is traded under.

HS 2939.79Indicative HS code

Alkaloids of vegetal origin, other than cocaine, ecgonine, salts, esters and other derivatives, not elsewhere…

World exports in 2024
$701M
+18.9% vs 2023, imports $830M
2019 to 2024
Top exporters
  1. Switzerland * partner reported25.3%
  2. Germany21.4%
  3. India * partner reported14.9%
Top importers
  1. United States20.9%
  2. Germany14.7%
  3. Italy14.6%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Cotinine is indicative (it is known at chapter level only). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Cotinine, based on the data on this page

What is 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.

What is the CAS number of Cotinine?

The CAS registry number of Cotinine is 486-56-6.

What is the molecular formula and weight of Cotinine?

The molecular formula of Cotinine is C10H12N2O and its molar mass is 176.22 g/mol.

What is Cotinine used for?

The N-glucuronide conjugate of cotinine is a major urinary metabolite of nicotine. It thus serves as a biomarker of exposure to tobacco smoking. It has CNS stimulating properties. Therapeutic category: Antidepressant. Use classes: Pharmaceuticals.

Is Cotinine hazardous?

Cotinine carries the GHS signal word "Warning". Main hazards: harmful if swallowed, causes skin irritation, causes serious eye irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Cotinine?

Cotinine is usually classified under HS code 293979 (Alkaloids, natural or reproduced by synthesis, and their salts, ethers, esters and other…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Cotinine?

CompoundList lists 72 suppliers of Cotinine in United States, China, Germany, United Kingdom and 9 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Cotinine in India?

2 suppliers in India list Cotinine on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Cotinine?

Suppliers quote Cotinine on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Cotinine

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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