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Heterocyclic building blocks

3'-Hydroxycotinine, trans-

Also known as trans-3'-hydroxycotinine, trans-3-Hydroxycotinine, (3R,5S)-3-hydroxy-1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one

CAS 34834-67-8Formula C10H12N2O2Molar mass 192.22 g/molEC 803-421-5
GHS signal word: Danger. Pictograms: Acute toxicity (severe) 4 suppliers listed
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3'-Hydroxycotinine, trans- chemical structure, C10H12N2O2, CAS 34834-67-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
34834-67-8
Formula
C10H12N2O2
Molar mass
192.22 g/mol
EC number
803-421-5
HS code
293339
Category
Heterocyclic building blocks

What is 3'-Hydroxycotinine, trans-?

Plain description, key identifiers and synonyms

Trans-3-hydroxycotinine is an N-alkylpyrrolidine that is cotinine substituted at position C-3 by a hydroxy group (the 3R,5S-diastereomer). It is a member of pyridines, a pyrrolidine alkaloid, a N-alkylpyrrolidine and a member of pyrrolidin-2-ones. It is functionally related to a (-)-cotinine.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3R,5S)-3-hydroxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one
CAS number
34834-67-8 CAS number cross-checkedOther or deprecated CAS: 108450-02-8, 223655-46-7
EC number
803-421-5
Molecular formula
C10H12N2O2
UNII
H7LH47Y29A
MDL number
MFCD01320408
InChIKey
XOKCJXZZNAUIQN-DTWKUNHWSA-N
InChI
InChI=1S/C10H12N2O2/c1-12-8(5-9(13)10(12)14)7-3-2-4-11-6-7/h2-4,6,8-9,13H,5H2,1H3/t8-,9+/m0/s1
Canonical SMILES
CN1C(=O)C(O)CC1c1cccnc1
Isomeric SMILES
CN1[C@@H](C[C@H](C1=O)O)C2=CN=CC=C2

Synonyms

  • trans-3'-hydroxycotinine
  • trans-3-Hydroxycotinine
  • (3R,5S)-3-hydroxy-1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one
  • Hydroxycotinine
  • trans-3'-Hydroxy Cotinine
  • (3R,5S)-3-hydroxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one
  • 3-Hydroxy-1-methyl-5-(3-pyridinyl)-2-pyrrolidinone
  • Trans-3-hydroxy-1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one
  • 2-Pyrrolidinone, 3-hydroxy-1-methyl-5-(3-pyridinyl)-, (3R,5S)-
  • (3R-trans)-3-hydroxy-1-methyl-5-(3-pyridinyl)-2-Pyrrolidinone
  • 3-hydroxy-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one
  • (3'R,5'S)-3'-Hydroxycotinine
  • 3'-hydroxycotinine
  • 1-methyl-3-hydroxy-5-(3-pyridyl)-2-pyrrolidinone
  • trans-3'-Hydroxy Cotinine (1.0 mg/mL in Methanol)
  • trans-3-Hydroxy Cotinine
  • 3-Hydroxy-1-methyl-5-(3-pyridinyl)-2-pyrrolidinone #
  • Hydroxycotinine, AIF, CE0, MS2Dec
  • (+)-trans-3'-Hydroxycotinine (unlabeled)
  • trans-3'-Hydroxy Cotinine (1 mg/mL in Methanol)
  • 1-methyl-3-(r)-hydroxy-5-(s)-3-pyridyl-2-pyrrolidinone
  • (3R,5S)-3-hydroxy-1-methyl-5-(3-pyridyl)pyrrolidin-2-one

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

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

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
192.22 g/molcalc.
Exact mass
192.0899 Dacalc.
LogP (octanol/water)
0.35calc.
Topological polar surface area
53.43 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
1calc.
Heavy atoms
14calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.4calc.
Formal charge
0calc.
Stereocentres
2calc.
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
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)

Hazard statements

  • H301Toxic if swallowed.
Precautionary statements (7)
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • 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

3'-Hydroxycotinine, trans- suppliers

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Where suppliers are based

4 suppliers in 2 countries

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3'-Hydroxycotinine, trans- price

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Uses and applications

What the substance is used for, by industry and function

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 3'-Hydroxycotinine, trans- is traded under.

HS 2933.39Indicative HS code

Heterocyclic compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure…

World exports in 2024
$9.16B
−17.9% vs 2023, imports $10.6B
2019 to 2024
Top exporters
  1. China21.5%
  2. India * partner reported12.3%
  3. Ireland11.6%
Top importers
  1. Germany14.2%
  2. United States12.8%
  3. Brazil10.1%

* Partner reported figures, a lower bound.

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

The HS code shown for 3'-Hydroxycotinine, trans- is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 3'-Hydroxycotinine, trans-, based on the data on this page

What is 3'-Hydroxycotinine, trans-?

Trans-3-hydroxycotinine is an N-alkylpyrrolidine that is cotinine substituted at position C-3 by a hydroxy group (the 3R,5S-diastereomer). It is a member of pyridines, a pyrrolidine alkaloid, a N-alkylpyrrolidine and a member of pyrrolidin-2-ones. It is functionally related to a (-)-cotinine.

What is the CAS number of 3'-Hydroxycotinine, trans-?

The CAS registry number of 3'-Hydroxycotinine, trans- is 34834-67-8. Other or deprecated CAS numbers: 108450-02-8, 223655-46-7.

What is the molecular formula and weight of 3'-Hydroxycotinine, trans-?

The molecular formula of 3'-Hydroxycotinine, trans- is C10H12N2O2 and its molar mass is 192.22 g/mol.

What is 3'-Hydroxycotinine, trans- used for?

Known uses and roles of 3'-Hydroxycotinine, trans- include building blocks in research and laboratory and screening compounds in research and laboratory.

Is 3'-Hydroxycotinine, trans- hazardous?

3'-Hydroxycotinine, trans- carries the GHS signal word "Danger". Main hazards: toxic if swallowed. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of 3'-Hydroxycotinine, trans-?

3'-Hydroxycotinine, trans- is usually classified under HS code 293339 (Compounds containing an unfused pyridine ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 3'-Hydroxycotinine, trans-?

CompoundList lists 4 suppliers of 3'-Hydroxycotinine, trans- in China and Czech Republic. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of 3'-Hydroxycotinine, trans-?

Suppliers quote 3'-Hydroxycotinine, trans- 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

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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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