≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Desiccated 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.
| Canonical Smiles | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)NC(C)C)[N+](=O)[O-] |
|---|---|
| IUPAC Name | 2-nitro-N-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
| InChIKey | CPFXSYOPICKDOB-UHFFFAOYSA-N |
| INCHI | 1S/C15H23BN2O4/c1-10(2)17-12-8-7-11(9-13(12)18(19)20)16-21-14(3,4)15(5,6)22-16/h7-10,17H,1-6H3 |
| Isomeric SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)NC(C)C)[N+](=O)[O-] |
| PubChem CID | 46739450 |
| Molecular Weight | 306.17 |
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 | Nitrobenzenes Nitroaromatic compounds Aniline and substituted anilines Secondary alkylarylamines Dioxaborolanes Boronic acid esters Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Organic metalloid salts Organooxygen compounds Organometalloid compounds Organic zwitterions Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylisopropylamine - Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Benzenoid - Boronic acid ester - 1,3,2-dioxaborolane - Boronic acid derivative - Organic nitro compound - C-nitro compound - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Organic oxoazanium - Secondary amine - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organooxygen compound - Organic salt - Organic zwitterion - Organic oxygen compound - Organic oxide - Organic metalloid moeity - Aromatic heteromonocyclic 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 | Not available |
| Molecular Weight | 306.170 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 306.175 Da |
| Monoisotopic Mass | 306.175 Da |
| Topological Polar Surface Area | 76.300 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 406.000 |
| 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 |
