≥97%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature,Argon charged Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
4-Pentylaniline was used in the synthesis of 4-[(4′-pentyl)azo]phenol (5Az-OH) by diazo-coupling reaction with phenol.
| Pubchem Sid | 488186764 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488186764 |
| Canonical Smiles | CCCCCC1=CC=C(C=C1)N |
| IUPAC Name | 4-pentylaniline |
| InChIKey | DGFTWBUZRHAHTH-UHFFFAOYSA-N |
| INCHI | 1S/C11H17N/c1-2-3-4-5-10-6-8-11(12)9-7-10/h6-9H,2-5,12H2,1H3 |
| Isomeric SMILES | CCCCCC1=CC=C(C=C1)N |
| Molecular Weight | 163.26 |
| Beilstein | 12(3)2747 |
| Reaxy-Rn | 2081420 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2081420&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Aniline and substituted anilines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aniline and substituted anilines |
| Alternative Parents | Primary amines Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aniline or substituted anilines - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound |
| Description | This 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 |
| Sensitivity | air sensitive |
|---|---|
| Refractive Index | 1.53 |
| Flash Point(°F) | 230°F |
| Flash Point(°C) | >110°C |
| Boil Point(°C) | 265 °C |
| Molecular Weight | 163.260 g/mol |
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 4 |
| Exact Mass | 163.136 Da |
| Monoisotopic Mass | 163.136 Da |
| Topological Polar Surface Area | 26.000 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 104.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Jiaqi Qi, Xuanfeng He, Haitao Jiang, Yuhuai Fei, Yinying Cheng, Jing Song, Cong Wang, Donglai Han. (2026) Tailoring Interfacial Electron Transfer in Au/S-Cs2SnI6@Liquid Crystal Heterostructures for Enhanced Nonlinear Optical Property. Advanced Optical Materials, [PMID:] [10.1002/adom.71534] |
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