≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488186253 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488186253 |
| Canonical Smiles | CCCCN.CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)[O-])SC2=C(C=CC(=C2)C(C)(C)CC(C)(C)C)[O-].[Ni+2] |
| IUPAC Name | butan-1-amine;nickel(2+);2-[2-oxido-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfanyl-4-(2,4,4-trimethylpentan-2-yl)phenolate |
| InChIKey | DPLLDVMBMPQDCO-UHFFFAOYSA-L |
| INCHI | 1S/C28H42O2S.C4H11N.Ni/c1-25(2,3)17-27(7,8)19-11-13-21(29)23(15-19)31-24-16-20(12-14-22(24)30)28(9,10)18-26(4,5)6;1-2-3-4-5;/h11-16,29-30H,17-18H2,1-10H3;2-5H2,1H3;/q;;+2/p-2 |
| Isomeric SMILES | CCCCN.CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)[O-])SC2=C(C=CC(=C2)C(C)(C)CC(C)(C)C)[O-].[Ni+2] |
| PubChem CID | 84486 |
| Molecular Weight | 572.52 |
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 | Primary amines |
| Direct Parent | Monoalkylamines |
| Alternative Parents | Organopnictogen compounds Organic salts Hydrocarbon derivatives |
| Molecular Framework | Not available |
| Substituents | Organopnictogen compound - Hydrocarbon derivative - Organic salt - Primary aliphatic amine - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as monoalkylamines. These are organic compounds containing an primary aliphatic amine group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 E2308610 | Certificate of Analysis | Feb 04, 2026 | U350951 |
| B23271267 | Certificate of Analysis | Dec 22, 2025 | U350951 |
| B23271238 | Certificate of Analysis | Dec 22, 2025 | U350951 |
| B23271232 | Certificate of Analysis | Dec 22, 2025 | U350951 |
| B23271226 | Certificate of Analysis | Dec 22, 2025 | U350951 |
| B23271225 | Certificate of Analysis | Dec 12, 2025 | U350951 |
| B23271234 | Certificate of Analysis | Dec 12, 2025 | U350951 |
| B23271235 | Certificate of Analysis | Dec 12, 2025 | U350951 |
| B23271268 | Certificate of Analysis | Dec 12, 2025 | U350951 |
| B23271271 | Certificate of Analysis | Dec 12, 2025 | U350951 |
| Melt Point(°C) | 245-280° C |
|---|---|
| Molecular Weight | 572.500 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 10 |
| Exact Mass | 571.299 Da |
| Monoisotopic Mass | 571.299 Da |
| Topological Polar Surface Area | 97.400 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 532.000 |
| 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 | 3 |
| 1. Ce Chen, Lidong Yu, Xueting Li, Zewen Yu, Danjie Song, Siqi Wang, Fangshun Li, Shanshan Jiang, Yajie Chen, Jucai Xu, Jianglin Fan, Bingsheng Li, Li Li. (2024) Reducing Oxidative Stress Levels and Inhibiting Aging by l-Cysteine-Derived Carbon Dots with Highly Efficient Broad-Spectrum UV Absorption. ACS Applied Materials & Interfaces, [PMID:39121011] [10.1021/acsami.4c02955] |
