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Heterocyclic building blocks

As1069562

Also known as (S)-Indeloxazine (benzenesulfonate), benzenesulfonic acid, (2S)-2-(3H-inden-4-yloxymethyl)morpholine, S(+)-2-[(1H-Inden-7-yloxy)methyl]morpholine monobenzenesulfonate

CAS 1214994-13-4Formula C20H23NO5SMolar mass 389.47 g/mol
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As1069562 chemical structure, C20H23NO5S, CAS 1214994-13-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1214994-13-4
Formula
C20H23NO5S
Molar mass
389.47 g/mol
HS code
293499
Category
Heterocyclic building blocks

What is As1069562?

Plain description, key identifiers and synonyms

As1069562 is a chemical substance with the molecular formula C20H23NO5S and a molar mass of 389.47 g/mol. Its CAS registry number is 1214994-13-4. The IUPAC name is benzenesulfonic acid, (2S)-2-(3H-inden-4-yloxymethyl)morpholine.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
benzenesulfonic acid, (2S)-2-(3H-inden-4-yloxymethyl)morpholine
CAS number
1214994-13-4
Molecular formula
C20H23NO5S
InChIKey
HLSBLOLRAXOIFW-YDALLXLXSA-N
InChI
InChI=1S/C14H17NO2.C6H6O3S/c1-3-11-4-2-6-14(13(11)5-1)17-10-12-9-15-7-8-16-12;7-10(8,9)6-4-2-1-3-5-6/h1-4,6,12,15H,5,7-10H2;1-5H,(H,7,8,9)/t12-;/m0./s1
Canonical SMILES
C1=Cc2cccc(OCC3CNCCO3)c2C1.O=S(=O)(O)c1ccccc1
Isomeric SMILES
C1CO[C@@H](CN1)COC2=CC=CC3=C2CC=C3.C1=CC=C(C=C1)S(=O)(=O)O

Synonyms

  • (S)-Indeloxazine (benzenesulfonate)
  • benzenesulfonic acid, (2S)-2-(3H-inden-4-yloxymethyl)morpholine
  • S(+)-2-[(1H-Inden-7-yloxy)methyl]morpholine monobenzenesulfonate

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
389.47 g/molcalc.
Exact mass
389.1297 Dacalc.
LogP (octanol/water)
2.56calc.
Topological polar surface area
84.86 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
4calc.
Heavy atoms
27calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.3calc.
Formal charge
0calc.
Stereocentres
1calc.
Components
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, C1=Cc2cccc(OCC3CNCCO3)c2C1

C1=Cc2cccc(OCC3CNCCO3)c2C1

3 rings, 17 atoms, the Indeloxazine ring system.

7 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.

As1069562 suppliers

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As1069562 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 As1069562 is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for As1069562 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about As1069562, based on the data on this page

What is As1069562?

As1069562 is a chemical substance with the molecular formula C20H23NO5S and a molar mass of 389.47 g/mol. Its CAS registry number is 1214994-13-4. The IUPAC name is benzenesulfonic acid, (2S)-2-(3H-inden-4-yloxymethyl)morpholine.

What is the CAS number of As1069562?

The CAS registry number of As1069562 is 1214994-13-4.

What is the molecular formula and weight of As1069562?

The molecular formula of As1069562 is C20H23NO5S and its molar mass is 389.47 g/mol.

What is As1069562 used for?

Known uses and roles of As1069562 include building blocks in research and laboratory.

Is As1069562 hazardous?

No GHS hazard classification for As1069562 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 As1069562?

As1069562 is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy As1069562?

Post a free request on CompoundList and suppliers of As1069562 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of As1069562?

Suppliers quote As1069562 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 As1069562

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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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