5-Methoxy-1-methyl-1H-indole - ≥98% , CAS No.2521-13-3

CAS: 2521-13-3 Cat. No.: M588417 Molecular Weight: 161.21
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
DTXSID30356123 | AN-068/25067015 | AS-9416 | FT-0649729 | 5-methoxy-N-methylindole | 5-methoxyl -1-methylindole | A817709 | AKOS004119741 | 1H-Indole,5-methoxy-1-methyl- | 5-Hydroxyindole, N-methyl-, methyl ether | CAA52113 | methyl 1-methyl-1H-indol-5-yl
Storage
Store at 2-8°C,Desiccated
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
100mg
M588417-100mg
3

$11.90

$17.90
Save $6.00 (33.52%)
250mg
M588417-250mg
3

$23.90

$35.90
Save $12.00 (33.43%)
1g
M588417-1g
2

$44.90

$67.90
Save $23.00 (33.87%)
5g
M588417-5g
1

$203.90

$305.90
Save $102.00 (33.34%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Desiccated Ships Wet ice Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
DTXSID30356123 | AN-068/25067015 | AS-9416 | FT-0649729 | 5-methoxy-N-methylindole | 5-methoxyl -1-methylindole | A817709 | AKOS004119741 | 1H-Indole, 5-methoxy-1-methyl- | 5-Hydroxyindole, N-methyl-, methyl ether | CAA52113 | methyl 1-methyl-1H-indol-5-yl
Specifications & Purity
≥98%
Storage
Store at 2-8°C, Desiccated
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥98%
Names and Identifiers
Canonical SmilesCN1C=CC2=C1C=CC(=C2)OC
IUPAC Name5-methoxy-1-methylindole
InChIKeyHQNPKVBTBJUMTR-UHFFFAOYSA-N
INCHI1S/C10H11NO/c1-11-6-5-8-7-9(12-2)3-4-10(8)11/h3-7H,1-2H3
Isomeric SMILES CN1C=CC2=C1C=CC(=C2)OC
Molecular Weight 161.21
Reaxy-Rn 125164
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=125164&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassIndoles and derivatives
SubclassN-alkylindoles
Intermediate Tree Nodes Not available
Direct ParentN-alkylindoles
Alternative Parents Indoles  Anisoles  Alkyl aryl ethers  N-methylpyrroles  Heteroaromatic compounds  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents N-alkylindole - Indole - Anisole - Alkyl aryl ether - N-methylpyrrole - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Ether - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as n-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 1-position.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(non-human)
Pseudomonas aeruginosa (123386 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Klebsiella pneumoniae (43867 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Staphylococcus aureus (210822 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Acinetobacter baumannii (41033 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Escherichia coli (133304 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cryptococcus neoformans (21258 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot NumberCertificate TypeDateItem
I2320606Certificate of AnalysisSep 01, 2023 M588417
I2320607Certificate of AnalysisSep 01, 2023 M588417
I2320608Certificate of AnalysisSep 01, 2023 M588417
I2320609Certificate of AnalysisSep 01, 2023 M588417
Chemical and Physical Properties
Molecular Weight161.200 g/mol
XLogP32.700
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass161.084 Da
Monoisotopic Mass161.084 Da
Topological Polar Surface Area14.200 Ų
Heavy Atom Count12
Formal Charge0
Complexity160.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

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