5-Methyltryptamine , CAS No.1821-47-2

CAS: 1821-47-2 Cat. No.: M667851 Molecular Weight: 174.24 PubChem CID: 15760
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Synonyms
5-Methyltryptamine | 2-(5-methyl-1H-indol-3-yl)ethanamine | 5-methyl-1H-Indole-3-ethanamine | 5-Methyl-3-(aminoethyl)indole | 1H-Indole-3-ethanamine, 5-methyl- | 2-(5-methyl-1H-indol-3-yl)ethan-1-amine | INDOLE, 3-(AMINOETHYL)-5-METHYL- | 1H-Indole-3-etha
Storage
Room temperature
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Size
Status
Price
Qty
1mg
M667851-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$571.90

$999.90
Save $428.00 (42.80%)
5mg
M667851-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$1,999.90

$2,999.90
Save $1,000.00 (33.33%)
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships 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
5-Methyltryptamine | 2-(5-methyl-1H-indol-3-yl)ethanamine | 5-methyl-1H-Indole-3-ethanamine | 5-Methyl-3-(aminoethyl)indole | 1H-Indole-3-ethanamine, 5-methyl- | 2-(5-methyl-1H-indol-3-yl)ethan-1-amine | INDOLE, 3-(AMINOETHYL)-5-METHYL- | 1H-Indole-3-etha
Storage
Room temperature
Product Properties
ALogP1.9
Names and Identifiers
Canonical SmilesCC1=CC2=C(C=C1)NC=C2CCN
IUPAC Name2-(5-methyl-1H-indol-3-yl)ethanamine
InChIKeyPYOUAIQXJALPKW-UHFFFAOYSA-N
INCHI1S/C11H14N2/c1-8-2-3-11-10(6-8)9(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
Isomeric SMILES CC1=CC2=C(C=C1)NC=C2CCN
PubChem CID 15760
Molecular Weight 174.24

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
SubclassTryptamines and derivatives
Intermediate Tree Nodes Not available
Direct ParentTryptamines and derivatives
Alternative Parents 3-alkylindoles  2-arylethylamines  Aralkylamines  Substituted pyrroles  Benzenoids  Heteroaromatic compounds  Azacyclic compounds  Organopnictogen compounds  Monoalkylamines  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Tryptamine - 3-alkylindole - Indole - 2-arylethylamine - Aralkylamine - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Azacycle - Hydrocarbon derivative - Organopnictogen compound - Amine - Primary amine - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as tryptamines and derivatives. These are compounds containing the tryptamine backbone, which is structurally characterized by an indole ring substituted at the 3-position by an ethanamine.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
HTR2A Tclin 5-hydroxytryptamine receptor 2A (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
HTR1D Tclin 5-hydroxytryptamine receptor 1D (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
SLC6A2 Tclin Norepinephrine transporter (10102 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTR1D Tclin Serotonin 1d (5-HT1d) receptor (2897 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTR2A Tclin Serotonin 2a (5-HT2a) receptor (14758 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLC6A4 Tclin Serotonin transporter (12625 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLC6A3 Tclin Dopamine transporter (10535 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Pseudomonas aeruginosa (123386 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:
Chemical and Physical Properties
Molecular Weight174.240 g/mol
XLogP31.900
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass174.116 Da
Monoisotopic Mass174.116 Da
Topological Polar Surface Area41.800 Ų
Heavy Atom Count13
Formal Charge0
Complexity169.000
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
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