Determine the necessary mass, volume, or concentration for preparing a solution.
≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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 | C1CCNC2=CC=C(CC3=CC=C(C=C3)NCCCCNC4=CC=C(CC5=CC=C(C=C5)NC1)C=C4)C=C2 |
|---|---|
| IUPAC Name | 7,12,22,27-tetrazapentacyclo[26.2.2.23,6.213,16.218,21]octatriaconta-1(30),3(38),4,6(37),13(36),14,16(35),18,20,28,31,33-dodecaene |
| InChIKey | MSPWJYMWDZWVPW-UHFFFAOYSA-N |
| INCHI | 1S/C34H40N4/c1-2-22-36-32-15-7-28(8-16-32)26-30-11-19-34(20-12-30)38-24-4-3-23-37-33-17-9-29(10-18-33)25-27-5-13-31(14-6-27)35-21-1/h5-20,35-38H,1-4,21-26H2 |
| Isomeric SMILES | C1CCNC2=CC=C(CC3=CC=C(C=C3)NCCCCNC4=CC=C(CC5=CC=C(C=C5)NC1)C=C4)C=C2 |
| PubChem CID | 5231738 |
| Molecular Weight | 504.72 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic nitrogen compounds |
| Class | Organonitrogen compounds |
| Subclass | Amines |
| Intermediate Tree Nodes | Secondary amines |
| Direct Parent | Secondary alkylarylamines |
| Alternative Parents | Benzenoids Azacyclic compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Secondary aliphatic/aromatic amine - Benzenoid - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as secondary alkylarylamines. These are secondary alkylarylamines with the general formula HN(R)R' (R = alkyl, R' = aryl). |
| External Descriptors | Not available |
| Melt Point(°C) | 183 °C |
|---|---|
| Molecular Weight | 504.700 g/mol |
| XLogP3 | 8.600 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 504.325 Da |
| Monoisotopic Mass | 504.325 Da |
| Topological Polar Surface Area | 48.100 Ų |
| Heavy Atom Count | 38 |
| Formal Charge | 0 |
| Complexity | 502.000 |
| 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 |