4-(Phenylethynyl)aniline - ≥95% , CAS No.1849-25-8

CAS: 1849-25-8 Cat. No.: P587812 Molecular Weight: 193.25 EC Number: 196-222-1 PubChem CID: 4617269
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
Synonyms
4-phenylethynyl aniline | C77994 | 4-(phenylethynyl)aniline | SCHEMBL1009236 | SMR000180155 | Benzenamine, 4-(phenylethynyl)- | HMS2413K03 | 1T-1154 | DTXSID20404945 | MFCD00168826 | (p-Aminophenyl)phenylacetylene | MLS000546957 | 4-(2-phenyl-1-ethynyl)an
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
250mg
P587812-250mg
3

$73.90

$110.90
Save $37.00 (33.36%)
1g
P587812-1g
2

$199.90

$299.90
Save $100.00 (33.34%)
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

Synonyms
4-phenylethynyl aniline | C77994 | 4-(phenylethynyl)aniline | SCHEMBL1009236 | SMR000180155 | Benzenamine, 4-(phenylethynyl)- | HMS2413K03 | 1T-1154 | DTXSID20404945 | MFCD00168826 | (p-Aminophenyl)phenylacetylene | MLS000546957 | 4-(2-phenyl-1-ethynyl)an
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=C(C=C1)C#CC2=CC=C(C=C2)N
IUPAC Name4-(2-phenylethynyl)aniline
InChIKeyODFQRHOQXHVJTQ-UHFFFAOYSA-N
INCHI1S/C14H11N/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11H,15H2
Isomeric SMILES C1=CC=C(C=C1)C#CC2=CC=C(C=C2)N
PubChem CID 4617269
Molecular Weight 193.25

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
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassAniline and substituted anilines
Intermediate Tree Nodes Not available
Direct ParentAniline and substituted anilines
Alternative Parents Primary amines  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Aniline or substituted anilines - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Luciferin 4-monooxygenase (66902 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mapt Microtubule-associated protein tau (6 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
FTL Ferritin light chain (43324 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.

2 results found

Lot NumberCertificate TypeDateItem
I2325400Certificate of AnalysisSep 07, 2023 P587812
I2325425Certificate of AnalysisSep 07, 2023 P587812
Chemical and Physical Properties
Molecular Weight193.240 g/mol
XLogP34.100
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass193.089 Da
Monoisotopic Mass193.089 Da
Topological Polar Surface Area26.000 Ų
Heavy Atom Count15
Formal Charge0
Complexity243.000
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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