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Isotope-labelled compounds

Indole-13C

Also known as 1H-Indole-2-13C

CAS 85597-55-3Formula C8H7NMolar mass 118.14 g/mol
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Indole-13C chemical structure, C8H7N, CAS 85597-55-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
85597-55-3
Formula
C8H7N
Molar mass
118.14 g/mol
HS code
284590
Category
Isotope-labelled compounds

What is Indole-13C?

Plain description, key identifiers and synonyms

Indole-13C is a chemical substance with the molecular formula C8H7N and a molar mass of 118.14 g/mol. Its CAS registry number is 85597-55-3. The IUPAC name is 1H-indole.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1H-indole
CAS number
85597-55-3
Molecular formula
C8H7N
InChIKey
SIKJAQJRHWYJAI-PTQBSOBMSA-N
InChI
InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H/i6+1
Canonical SMILES
c1ccc2[nH]ccc2c1
Isomeric SMILES
C1=CC=C2C(=C1)C=[13CH]N2

Synonyms

  • 1H-Indole-2-13C

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
118.14 g/molcalc.
Exact mass
118.0612 Dacalc.
LogP (octanol/water)
2.17calc.
Topological polar surface area
15.79 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
0calc.
Rotatable bonds
0calc.
Heavy atoms
9calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0calc.
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.

Indole-13C suppliers

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

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Indole-13C 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 Indole-13C is traded under.

HS 2845.90Indicative HS code

Compounds, inorganic or organic, of such isotopes, whether or not chemically defined

World exports in 2024
$2.67B
+19.0% vs 2023, imports $1.67B
2019 to 2024
Top exporters
  1. Ireland55.3%
  2. Hong Kong11.8%
  3. United States10.7%
Top importers
  1. China24.3%
  2. Ireland21.9%
  3. South Korea13.3%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Indole-13C is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Indole-13C, based on the data on this page

What is Indole-13C?

Indole-13C is a chemical substance with the molecular formula C8H7N and a molar mass of 118.14 g/mol. Its CAS registry number is 85597-55-3. The IUPAC name is 1H-indole.

What is the CAS number of Indole-13C?

The CAS registry number of Indole-13C is 85597-55-3.

What is the molecular formula and weight of Indole-13C?

The molecular formula of Indole-13C is C8H7N and its molar mass is 118.14 g/mol.

What is Indole-13C used for?

Known uses and roles of Indole-13C include isotope-labelled compounds in research and laboratory.

Is Indole-13C hazardous?

No GHS hazard classification for Indole-13C 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 Indole-13C?

Indole-13C is usually classified under HS code 284590 (Isotopes other than those of heading 2844, compounds, inorganic or organic, of such…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Indole-13C?

Post a free request on CompoundList and suppliers of Indole-13C will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Indole-13C?

Suppliers quote Indole-13C 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 Indole-13C

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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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