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Heterocyclic building blocks

Alline

Also known as 3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-ol, 3-methyl-1,2,3a,4-tetrahydropyrrolo(2,3-b)indol-8b-ol, Pyrrolo[2,3-b]indol-3a(1H)-ol,2,3,8,8a-tetrahydro-1-Methyl-, (3aR,8aS)-

CAS 101053-34-3Formula C11H14N2OMolar mass 190.25 g/mol
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Alline chemical structure, C11H14N2O, CAS 101053-34-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
101053-34-3
Formula
C11H14N2O
Molar mass
190.25 g/mol
HS code
293399
Category
Heterocyclic building blocks

What is Alline?

Plain description, key identifiers and synonyms

Alline is a pyrroloindole.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-ol
CAS number
101053-34-3
Molecular formula
C11H14N2O
InChIKey
CBQYNPHHHJTCJS-UHFFFAOYSA-N
InChI
InChI=1S/C11H14N2O/c1-13-7-6-11(14)8-4-2-3-5-9(8)12-10(11)13/h2-5,10,12,14H,6-7H2,1H3
SMILES (canonical and isomeric)
CN1CCC2(C1NC3=CC=CC=C32)O

Synonyms

  • 3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-ol
  • 3-methyl-1,2,3a,4-tetrahydropyrrolo(2,3-b)indol-8b-ol
  • Pyrrolo[2,3-b]indol-3a(1H)-ol,2,3,8,8a-tetrahydro-1-Methyl-, (3aR,8aS)-
  • 2,3,8,8a-Tetrahydro-1-methylpyrrolo[2,3-b]indol-3a(1H)-ol, 9CI

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
190.25 g/molcalc.
Exact mass
190.1106 Dacalc.
LogP (octanol/water)
0.96calc.
Topological polar surface area
35.5 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
0calc.
Heavy atoms
14calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.46calc.
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, c1ccc2c(c1)NC1NCCC21

c1ccc2c(c1)NC1NCCC21

3 rings, 12 atoms.

69 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.

Alline suppliers

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Alline 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 Alline 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 Alline is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Alline?

Alline is a pyrroloindole.

What is the CAS number of Alline?

The CAS registry number of Alline is 101053-34-3.

What is the molecular formula and weight of Alline?

The molecular formula of Alline is C11H14N2O and its molar mass is 190.25 g/mol.

What is Alline used for?

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

Is Alline hazardous?

No GHS hazard classification for Alline 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 Alline?

Alline 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 Alline?

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

What is the price of Alline?

Suppliers quote Alline 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 Alline

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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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