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Heterocyclic building blocks

Nectrisine

Also known as (2R,3R,4S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrrole-3,4-diol, 3,4-dihydroxy-2-(hydroxymethyl)pyrrolidine, 3,4-dihydroxy-5-hydroxymethyl-1-pyrroline

CAS 108692-47-3Formula C5H9NO3Molar mass 131.13 g/mol
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Nectrisine chemical structure, C5H9NO3, CAS 108692-47-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
108692-47-3
Formula
C5H9NO3
Molar mass
131.13 g/mol
HS code
293399
Category
Heterocyclic building blocks

What is Nectrisine?

Plain description, key identifiers and synonyms

Nectrisine is a pyrroline.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2R,3R,4S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrrole-3,4-diol
CAS number
108692-47-3 CAS number cross-checkedOther or deprecated CAS: 136615-83-3
Molecular formula
C5H9NO3
InChIKey
QUPCOXZVKXONSC-MROZADKFSA-N
InChI
InChI=1S/C5H9NO3/c7-2-3-5(9)4(8)1-6-3/h1,3-5,7-9H,2H2/t3-,4+,5-/m1/s1
Canonical SMILES
OCC1N=CC(O)C1O
Isomeric SMILES
C1=N[C@@H]([C@H]([C@H]1O)O)CO

Synonyms

  • (2R,3R,4S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrrole-3,4-diol
  • 3,4-dihydroxy-2-(hydroxymethyl)pyrrolidine
  • 3,4-dihydroxy-5-hydroxymethyl-1-pyrroline
  • WF 4490
  • FR 900483
  • 2H-Pyrrole-3,4-diol
  • (2R-(2-alpha,3-beta,4-alpha))-3,4-Dihydro-2-(hydroxymethyl)-2H-pyrrole-3,4-diol
  • 2H-Pyrrole, 3,4-diol, 3,4-dihydro-2-(hydroxymethyl)-, (3R-(3alpha,4beta,5alpha))-
  • 2H-Pyrrole-3,4-diol, 3,4-dihydro-2-(hydroxymethyl)-, (2R-(2-alpha,3-beta,4-alpha))-
  • 2H-Pyrrole-3,4-diol, 3,4-dihydro-2-(hydroxymethyl)-, (2R,3R,4R)-
  • 3,4-Dihydro-2-(hydroxymethyl)-,[2R-(2alpha,3beta,4alpha)]-2H-pyrrole-3,4-diol

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
131.13 g/molcalc.
Exact mass
131.0582 Dacalc.
LogP (octanol/water)
-1.85calc.
Topological polar surface area
73.05 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
1calc.
Heavy atoms
9calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.8calc.
Formal charge
0calc.
Stereocentres
3calc.
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, C1=NCCC1

C1=NCCC1

1 ring, 5 atoms, the 1-Pyrroline ring system.

302 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

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

Nectrisine suppliers

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Nectrisine 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

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 Nectrisine is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

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

The HS code shown for Nectrisine is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Nectrisine?

Nectrisine is a pyrroline.

What is the CAS number of Nectrisine?

The CAS registry number of Nectrisine is 108692-47-3. Other or deprecated CAS numbers: 136615-83-3.

What is the molecular formula and weight of Nectrisine?

The molecular formula of Nectrisine is C5H9NO3 and its molar mass is 131.13 g/mol.

What is Nectrisine used for?

Known uses and roles of Nectrisine include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Nectrisine hazardous?

No GHS hazard classification for Nectrisine is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Nectrisine?

Nectrisine is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Nectrisine?

Post a free request on CompoundList and suppliers of Nectrisine will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Nectrisine?

Suppliers quote Nectrisine 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 Nectrisine

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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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