Determine the necessary mass, volume, or concentration for preparing a solution.
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≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Argon charged,Room temperature 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 13 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488180489 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488180489 |
| Canonical Smiles | CC(C)NC1=CC=C(C=C1)NC2=CC=CC=C2 |
| IUPAC Name | 1-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine |
| InChIKey | OUBMGJOQLXMSNT-UHFFFAOYSA-N |
| INCHI | 1S/C15H18N2/c1-12(2)16-14-8-10-15(11-9-14)17-13-6-4-3-5-7-13/h3-12,16-17H,1-2H3 |
| Isomeric SMILES | CC(C)NC1=CC=C(C=C1)NC2=CC=CC=C2 |
| RTECS | ST2650000 |
| UN Number | 1673 |
| Packing Group | III |
| Molecular Weight | 226.32 |
| Reaxy-Rn | 2213195 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2213195&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 | Organic nitrogen compounds |
| Class | Organonitrogen compounds |
| Subclass | Amines |
| Intermediate Tree Nodes | Aralkylamines - Phenylalkylamines |
| Direct Parent | Phenylisopropylamines |
| Alternative Parents | Aniline and substituted anilines Secondary alkylarylamines Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylisopropylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Benzenoid - Monocyclic benzene moiety - Secondary amine - Organopnictogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylisopropylamines. These are organic aromatic compounds containing a 1-phenylpropan-2-amine moiety. |
| External Descriptors | N-substituted diamine |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Jan 13, 2025 | I157651 | |
| Certificate of Analysis | Jan 13, 2025 | I157651 | |
| Certificate of Analysis | Jan 13, 2025 | I157651 | |
| Certificate of Analysis | Jan 13, 2025 | I157651 | |
| Certificate of Analysis | Jul 29, 2024 | I157651 | |
| Certificate of Analysis | Jul 29, 2024 | I157651 | |
| Certificate of Analysis | Jul 29, 2024 | I157651 | |
| Certificate of Analysis | Jul 29, 2024 | I157651 | |
| Certificate of Analysis | Jul 29, 2024 | I157651 | |
| Certificate of Analysis | Jul 29, 2024 | I157651 | |
| Certificate of Analysis | May 09, 2024 | I157651 | |
| Certificate of Analysis | May 09, 2024 | I157651 | |
| Certificate of Analysis | May 09, 2024 | I157651 | |
| Certificate of Analysis | May 06, 2024 | I157651 | |
| Certificate of Analysis | May 06, 2024 | I157651 |
| Solubility | Insoluble in water; Degree of Solubility in water: 600 mg/l 20 °C; Very soluble in Toluene,Chloroform,Acetone,Benzene,Methanol,Ethanol |
|---|---|
| Sensitivity | air sensitive |
| Flash Point(°C) | 172°C |
| Boil Point(°C) | 180°C/5mmHg(lit.) |
| Melt Point(°C) | 72-85℃ |
| Molecular Weight | 226.320 g/mol |
| XLogP3 | 4.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 226.147 Da |
| Monoisotopic Mass | 226.147 Da |
| Topological Polar Surface Area | 24.100 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 201.000 |
| 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 |
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| 2. Xu Zhang, Zifang Peng, Shijiao Hou, Qiannan Sun, Hang Yuan, Dan Yin, Wenfen Zhang, Yanhao Zhang, Jianwei Tang, Shusheng Zhang, Zongwei Cai. (2023) Ubiquitous occurrence of p-Phenylenediamine (PPD) antioxidants and PPD-quinones in fresh atmospheric snow and their amplification effects on associated aqueous contamination. JOURNAL OF HAZARDOUS MATERIALS, [PMID:38211520] [10.1016/j.jhazmat.2023.133409] |
| 3. Dong An, Yiwen Cui, Rizheng He, Jiaqi Chen, Xiaoyuan Duan, Jiaxiong Li, Yaqing Liu, Yanli Liu, Huitao Yu, Chingping Wong. (2023) Improved interfacial interactions of modified graphene oxide/natural rubber composites with the low heat build-up and good mechanical property for the green tire application. POLYMER COMPOSITES, [PMID:] [10.1002/pc.27444] |
| 4. Yuying Zhang, Lei Yan, Longxing Wang, Haijun Zhang, Jiping Chen, Ningbo Geng. (2024) A nation-wide study for the occurrence of PPD antioxidants and 6PPD-quinone in road dusts of China. SCIENCE OF THE TOTAL ENVIRONMENT, [PMID:38431175] [10.1016/j.scitotenv.2024.171393] |
| 5. Zifang Peng, Shijiao Hou, Qingyun He, Fangcheng Su, Lishun Ren, Congcong Pei, Dan Yin, Yanhao Zhang, Yanjie Huang, Shusheng Zhang, Zongwei Cai. (2025) High-resolution observation per 1.5 h revealed prominent time-dependent daily contamination variations of p-phenylenediamine (PPD) antioxidants and their quinone derivatives PPDQs in PM2.5 from central China. ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY, [PMID:39778316] [10.1016/j.ecoenv.2024.117655] |
| 6. Xu Zhang, Xiangbo Ji, Zifang Peng, Yanhao Zhang, Zongwei Cai, Shusheng Zhang. (2025) p-AAB/MXene as a novel adsorbent and SALDI matrix for highly efficient enrichment and rapid MS detection of emerging environmental organic pollutants in beverages and PM2.5. JOURNAL OF CHROMATOGRAPHY A, [PMID:39946819] [10.1016/j.chroma.2025.465759] |
| 7. Chen Wang, Meichen Sun, Minghui He, Siyu Zhao, Meinuo Lv, Xiaotian Xu, Chunbei Ye, Linjing Li, Limin Su, Yuanhui Zhao. (2024) Photolysis of p-phenylenediamine rubber antioxidants in aqueous environment: Kinetics, pathways and their photo-induced toxicity. JOURNAL OF HAZARDOUS MATERIALS, [PMID:39236532] [10.1016/j.jhazmat.2024.135718] |
| 8. Nan Jiang, Xuexin Hao, Zichen Wang, Minzhen Li, Dong Zhang, Rong Cao, Ruiqin Zhang, Haijun Zhang, Jiping Chen, Ningbo Geng. (2024) p‑Phenylenediamine antioxidants in PM2.5: New markers for traffic in positive matrix factorization source apportionment. JOURNAL OF HAZARDOUS MATERIALS, [PMID:38986411] [10.1016/j.jhazmat.2024.135122] |
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