≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light,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.
| Canonical Smiles | C1=CC(=CC=C1CCCNCCO)[N+](=O)[O-] |
|---|---|
| IUPAC Name | 2-[3-(4-nitrophenyl)propylamino]ethanol |
| InChIKey | RGJQCMUPYAXGNG-UHFFFAOYSA-N |
| INCHI | 1S/C11H16N2O3/c14-9-8-12-7-1-2-10-3-5-11(6-4-10)13(15)16/h3-6,12,14H,1-2,7-9H2 |
| Isomeric SMILES | C1=CC(=CC=C1CCCNCCO)[N+](=O)[O-] |
| Alternate CAS | 130634-09-2 |
| PubChem CID | 10421177 |
| Molecular Weight | 224.26 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Phenylpropylamines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpropylamines |
| Alternative Parents | Nitrobenzenes Nitroaromatic compounds Aralkylamines 1,2-aminoalcohols Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Dialkylamines Primary alcohols Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylpropylamine - Nitrobenzene - Nitroaromatic compound - Aralkylamine - 1,2-aminoalcohol - C-nitro compound - Organic nitro compound - Alkanolamine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary aliphatic amine - Secondary amine - Organic oxoazanium - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Primary alcohol - Organic nitrogen compound - Alcohol - Organic zwitterion - Amine - Organic oxide - Organic salt - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by an propan-1-amine. |
| External Descriptors | Not available |
| Sensitivity | light sensitive；Hygroscopic |
|---|---|
| Molecular Weight | 224.260 g/mol |
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 224.116 Da |
| Monoisotopic Mass | 224.116 Da |
| Topological Polar Surface Area | 78.100 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 198.000 |
| 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 |
