3-(CYCLOHEXYLAMINOMETHYL)-INDOLE , CAS No.53924-03-1

CAS: 53924-03-1 Cat. No.: C170874 Molecular Weight: 228.34 EC Number: 258-864-1
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Synonyms
N-(1H-indol-3-ylmethyl)cyclohexanamine|53924-03-1|N-Cyclohexyl-1H-indole-3-methylamine|JX88BAA25Y|N-((1H-Indol-3-yl)methyl)cyclohexanamine|NSC-74500|N-[(1H-indol-3-yl)methyl]cyclohexanamine|NSC74500|EINECS 258-864-1|UNII-JX88BAA25Y|MLS000520929|3-(cyclohe
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250mg
C170874-250mg
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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 Normal 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
N-(1H-indol-3-ylmethyl)cyclohexanamine | 53924-03-1 | N-Cyclohexyl-1H-indole-3-methylamine | JX88BAA25Y | N-((1H-Indol-3-yl)methyl)cyclohexanamine | NSC-74500 | N-[(1H-indol-3-yl)methyl]cyclohexanamine | NSC74500 | EINECS 258-864-1 | UNII-JX88BAA25Y | MLS000520929 | 3-(cyclohe
Storage
Room temperature
Shipped In
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Names and Identifiers
Canonical SmilesC1CCC(CC1)NCC2=CNC3=CC=CC=C32
IUPAC NameN-(1H-indol-3-ylmethyl)cyclohexanamine
InChIKeyMAMUGDCJLAKCPT-UHFFFAOYSA-N
INCHI1S/C15H20N2/c1-2-6-13(7-3-1)16-10-12-11-17-15-9-5-4-8-14(12)15/h4-5,8-9,11,13,16-17H,1-3,6-7,10H2
Isomeric SMILES C1CCC(CC1)NCC2=CNC3=CC=CC=C32
Molecular Weight 228.34
Reaxy-Rn 397981
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=397981&ln=

Documentation

📋 Safety Data Sheet (SDS)

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

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✅ 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 Cyclohexylamines  Aralkylamines  Substituted pyrroles  Benzenoids  Heteroaromatic compounds  Dialkylamines  Azacyclic compounds  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 3-alkylindole - Cyclohexylamine - Aralkylamine - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Secondary amine - Secondary aliphatic amine - Azacycle - Hydrocarbon derivative - Organopnictogen compound - Amine - Organonitrogen compound - Organic nitrogen compound - 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)
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTT Tchem Huntingtin (19182 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LMNA Tbio Prelamin-A/C (36751 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KMT2A Tchem Histone-lysine N-methyltransferase MLL (17327 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
ampC Beta-lactamase AmpC (62480 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
INS1 (2867 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 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 Weight228.330 g/mol
XLogP33.100
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass228.163 Da
Monoisotopic Mass228.163 Da
Topological Polar Surface Area27.800 Ų
Heavy Atom Count17
Formal Charge0
Complexity235.000
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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