≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged Ships Wet ice 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 528756316 |
|---|---|
| 정식 스마일 | CCC(C)C1=CC=CC=C1N |
| IUPAC Name | 2-butan-2-ylaniline |
| InChIKey | XAGPXEVNCJHXCL-UHFFFAOYSA-N |
| INCHI | 1S/C10H15N/c1-3-8(2)9-6-4-5-7-10(9)11/h4-8H,3,11H2,1-2H3 |
| 이성체 SMILES | CCC(C)C1=CC=CC=C1N |
| 분자량 | 149.23 |
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 |
| 분류 | Benzene and substituted derivatives |
| Subclass | Phenylpropanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpropanes |
| Alternative Parents | Aniline and substituted anilines Primary amines Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylpropane - Aniline or substituted anilines - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound |
| 설명 | This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | 날짜 | 항목 |
|---|---|---|---|
 H2519451 | Certificate of Analysis | Apr 12, 2025 | S193928 |
| H2519452 | Certificate of Analysis | Apr 12, 2025 | S193928 |
| H2519453 | Certificate of Analysis | Apr 12, 2025 | S193928 |
| H2519454 | Certificate of Analysis | Apr 12, 2025 | S193928 |
| H2519455 | Certificate of Analysis | Apr 12, 2025 | S193928 |
| 굴절률 | 1.53 |
|---|---|
| 끓는점(°C) | 239°C |
| 분자량 | 149.230 g/mol |
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 149.12 Da |
| Monoisotopic Mass | 149.12 Da |
| Topological Polar Surface Area | 26.000 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 111.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
