4-(1H-Indol-2-yl)aniline - ≥95% , CAS No.21889-05-4

CAS: 21889-05-4 Cat. No.: A693904 Molecular Weight: 208.25 PubChem CID: 30845
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
Storage
Store at 2-8°C,Protected from light,Argon charged
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
50mg
A693904-50mg
2

$26.90

$40.90
Save $14.00 (34.23%)
250mg
A693904-250mg
2

$123.90

$185.90
Save $62.00 (33.35%)
1g
A693904-1g
2

$316.90

$475.90
Save $159.00 (33.41%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Protected from light,Argon charged 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

Specifications & Purity
≥95%
Storage
Store at 2-8°C, Protected from light, Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥95%
Names and Identifiers
Canonical SmilesC1=CC=C2C(=C1)C=C(N2)C3=CC=C(C=C3)N
IUPAC Name4-(1H-indol-2-yl)aniline
InChIKeyBBYJHUAEFSHMHU-UHFFFAOYSA-N
INCHI1S/C14H12N2/c15-12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)16-14/h1-9,16H,15H2
Isomeric SMILES C1=CC=C2C(=C1)C=C(N2)C3=CC=C(C=C3)N
PubChem CID 30845
Molecular Weight 208.25

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
SubclassIndoles
Intermediate Tree Nodes Not available
Direct Parent2-phenylindoles
Alternative Parents Phenylpyrroles  Aniline and substituted anilines  Heteroaromatic compounds  Azacyclic compounds  Primary amines  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 2-phenylindole - 2-phenylpyrrole - Aniline or substituted anilines - Benzenoid - Substituted pyrrole - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrole - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Primary amine - Amine - Organonitrogen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as 2-phenylindoles. These are indoles substituted at the 2-position with a phenyl group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
CYP19A1 Tclin Cytochrome P450 19A1 (6099 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AKR1B1 Tclin Aldose reductase (1404 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Liver (3974 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SNCA Tchem Alpha-synuclein (10960 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Nqo1 NAD(P)H dehydrogenase [quinone] 1 (1058 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 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.

3 results found

Lot NumberCertificate TypeDateItem
I2525191Certificate of AnalysisJul 25, 2025 A693904
I2525235Certificate of AnalysisJul 25, 2025 A693904
I2525236Certificate of AnalysisJul 25, 2025 A693904
Chemical and Physical Properties
Molecular Weight208.260 g/mol
XLogP33.100
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass208.1 Da
Monoisotopic Mass208.1 Da
Topological Polar Surface Area41.800 Ų
Heavy Atom Count16
Formal Charge0
Complexity233.000
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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