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Heterocyclic building blocks

Sbb044946

Also known as Methyl 2-(2-methyl-1H-indol-3-yl)acetate, 2-Methyl-1H-indole-3-acetic acid methyl ester, 1H-Indole-3-acetic acid, 2-methyl-, methyl ester

CAS 78564-10-0Formula C12H13NO2Molar mass 203.24 g/mol
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Sbb044946 chemical structure, C12H13NO2, CAS 78564-10-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
78564-10-0
Formula
C12H13NO2
Molar mass
203.24 g/mol
HS code
293399
Category
Heterocyclic building blocks

What is Sbb044946?

Plain description, key identifiers and synonyms

Sbb044946 is a chemical substance with the molecular formula C12H13NO2 and a molar mass of 203.24 g/mol. Its CAS registry number is 78564-10-0. The IUPAC name is methyl 2-(2-methyl-1H-indol-3-yl)acetate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl 2-(2-methyl-1H-indol-3-yl)acetate
CAS number
78564-10-0 CAS number cross-checked
Molecular formula
C12H13NO2
MDL number
MFCD11486692
InChIKey
OMCDPBZUNDJKEQ-UHFFFAOYSA-N
InChI
InChI=1S/C12H13NO2/c1-8-10(7-12(14)15-2)9-5-3-4-6-11(9)13-8/h3-6,13H,7H2,1-2H3
SMILES (canonical and isomeric)
CC1=C(C2=CC=CC=C2N1)CC(=O)OC

Synonyms

  • Methyl 2-(2-methyl-1H-indol-3-yl)acetate
  • 2-Methyl-1H-indole-3-acetic acid methyl ester
  • 1H-Indole-3-acetic acid, 2-methyl-, methyl ester
  • methyl 2-(2-methylindol-3-yl)acetate
  • 2-Methyl-Indol-3-Essigsaure-Methylester
  • Methyl (2-methyl-1H-indol-3-yl)acetate
  • Methyl2-(2-methyl-1H-indol-3-yl)acetate
  • 2-Methyl-1H-indol-3-ylacetic acid, methyl ester
  • (2-methyl-1H-indol-3-yl)-acetic acid methyl ester
  • (2-Methyl-indol-3-yl)-acetic acid methyl ester

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
203.24 g/molcalc.
Exact mass
203.0946 Dacalc.
LogP (octanol/water)
2.19calc.
Topological polar surface area
42.09 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
2calc.
Heavy atoms
15calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.25calc.
Formal charge
0calc.
Stereocentres
0calc.
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, c1ccc2[nH]ccc2c1

c1ccc2[nH]ccc2c1

2 rings, 9 atoms, the Indole ring system.

25,097 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.

Sbb044946 suppliers

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Sbb044946 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 Sbb044946 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 Sbb044946 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Sbb044946, based on the data on this page

What is Sbb044946?

Sbb044946 is a chemical substance with the molecular formula C12H13NO2 and a molar mass of 203.24 g/mol. Its CAS registry number is 78564-10-0. The IUPAC name is methyl 2-(2-methyl-1H-indol-3-yl)acetate.

What is the CAS number of Sbb044946?

The CAS registry number of Sbb044946 is 78564-10-0.

What is the molecular formula and weight of Sbb044946?

The molecular formula of Sbb044946 is C12H13NO2 and its molar mass is 203.24 g/mol.

What is Sbb044946 used for?

Known uses and roles of Sbb044946 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Sbb044946 hazardous?

No GHS hazard classification for Sbb044946 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 Sbb044946?

Sbb044946 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 Sbb044946?

Post a free request on CompoundList and suppliers of Sbb044946 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Sbb044946?

Suppliers quote Sbb044946 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 Sbb044946

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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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