for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C 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.
| 정식 스마일 | C1=CC=C(C=C1)CCNCCCCCCNCCC2=CC(=C(C=C2)O)O.Cl.Cl |
|---|---|
| IUPAC Name | 4-[2-[6-(2-phenylethylamino)hexylamino]ethyl]benzene-1,2-diol;dihydrochloride |
| InChIKey | VPDULUNRSQWWJB-UHFFFAOYSA-N |
| INCHI | 1S/C22H32N2O2.2ClH/c25-21-11-10-20(18-22(21)26)13-17-24-15-7-2-1-6-14-23-16-12-19-8-4-3-5-9-19;;/h3-5,8-11,18,23-26H,1-2,6-7,12-17H2;2*1H |
| 이성체 SMILES | C1=CC=C(C=C1)CCNCCCCCCNCCC2=CC(=C(C=C2)O)O.Cl.Cl |
| PubChem CID | 68603 |
| 분자량 | 429.42 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| 분류 | Phenols |
| Subclass | Benzenediols |
| Intermediate Tree Nodes | Catechols |
| Direct Parent | Catecholamines and derivatives |
| Alternative Parents | Phenethylamines Aralkylamines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Dialkylamines Organopnictogen compounds Organooxygen compounds Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Catecholamine - Phenethylamine - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Monocyclic benzene moiety - Secondary aliphatic amine - Secondary amine - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Aromatic homomonocyclic compound |
| 설명 | This compound belongs to the class of organic compounds known as catecholamines and derivatives. These are compounds containing 4-(2-Aminoethyl)pyrocatechol [4-(2-aminoethyl)benzene-1,2-diol] or a derivative thereof formed by substitution. |
| External Descriptors | Not available |
| 녹는점(°C) | 213-215° C |
|---|---|
| 분자량 | 429.400 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 13 |
| Exact Mass | 428.2 Da |
| Monoisotopic Mass | 428.2 Da |
| Topological Polar Surface Area | 64.500 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 334.000 |
| 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 |
