2-(1H-indol-3-yl)propan-1-amine , CAS No.4765-22-4

CAS: 4765-22-4 Cat. No.: H668970 Molecular Weight: 174.24 PubChem CID: 6452095
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Synonyms
2-(1H-indol-3-yl)propan-1-amine | beta-Methyltryptamine | 1H-Indole-3-ethanamine, beta-methyl- | 2-(1H-indol-3-yl)propylamine | DTXSID70963895 | 2-(1 H-indol-3-yl)propylamine | 2-(1H-Indol-3-yl)-propylamine | UNUICNBHOJTXMS-UHFFFAOYSA-N | BDBM50068509 | P
Storage
Room temperature
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Price
Qty
1mg
H668970-1mg
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$571.90

$999.90
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5mg
H668970-5mg
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$1,999.90

$2,999.90
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

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

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Literature proof

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

Specifications

Synonyms
2-(1H-indol-3-yl)propan-1-amine | beta-Methyltryptamine | 1H-Indole-3-ethanamine, beta-methyl- | 2-(1H-indol-3-yl)propylamine | DTXSID70963895 | 2-(1 H-indol-3-yl)propylamine | 2-(1H-Indol-3-yl)-propylamine | UNUICNBHOJTXMS-UHFFFAOYSA-N | BDBM50068509 | P
Storage
Room temperature
Product Properties
ALogP1.9
Names and Identifiers
Canonical SmilesCC(CN)C1=CNC2=CC=CC=C21
IUPAC Name2-(1H-indol-3-yl)propan-1-amine
InChIKeyUNUICNBHOJTXMS-UHFFFAOYSA-N
INCHI1S/C11H14N2/c1-8(6-12)10-7-13-11-5-3-2-4-9(10)11/h2-5,7-8,13H,6,12H2,1H3
Isomeric SMILES CC(CN)C1=CNC2=CC=CC=C21
PubChem CID 6452095
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.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassIndoles and derivatives
SubclassIndoles
Intermediate Tree Nodes Not available
Direct Parent3-alkylindoles
Alternative Parents Aralkylamines  Substituted pyrroles  Benzenoids  Heteroaromatic compounds  Azacyclic compounds  Monoalkylamines  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 3-alkylindole - Aralkylamine - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position.
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)
HTR2C Tclin 5-hydroxytryptamine receptor 2C (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
HTR2B Tclin 5-hydroxytryptamine receptor 2B (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
HTR2A Tclin Serotonin 2a (5-HT2a) receptor (14758 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTR2C Tclin Serotonin 2c (5-HT2c) receptor (11471 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 Count1
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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