≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| Sonrisas canónicas | CC(C)N(CCC(C1=CC=CC=C1)C2=C(C=CC(=C2)C(=O)O)OCC3=CC=CC=C3)C(C)C |
|---|---|
| IUPAC Name | 3-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-phenylmethoxybenzoic acid |
| InChIKey | KJWIVHKZEWPBJI-UHFFFAOYSA-N |
| INCHI | 1S/C29H35NO3/c1-21(2)30(22(3)4)18-17-26(24-13-9-6-10-14-24)27-19-25(29(31)32)15-16-28(27)33-20-23-11-7-5-8-12-23/h5-16,19,21-22,26H,17-18,20H2,1-4H3,(H,31,32) |
| Isómeros SMILES | CC(C)N(CCC(C1=CC=CC=C1)C2=C(C=CC(=C2)C(=O)O)OCC3=CC=CC=C3)C(C)C |
| PubChem CID | 21476699 |
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 |
| Clase | Benzene and substituted derivatives |
| Subclass | Diphenylmethanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diphenylmethanes |
| Alternative Parents | Benzoic acids Phenoxy compounds Phenol ethers Benzoyl derivatives Aralkylamines Alkyl aryl ethers Trialkylamines Amino acids Carboxylic acids Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Diphenylmethane - Benzoic acid or derivatives - Benzoic acid - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Aralkylamine - Amino acid or derivatives - Amino acid - Tertiary amine - Tertiary aliphatic amine - Ether - Carboxylic acid - Carboxylic acid derivative - Organonitrogen compound - Amine - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups. |
| External Descriptors | Not available |
| Peso molecular | 445.600 g/mol |
|---|---|
| XLogP3 | 4.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 11 |
| Exact Mass | 445.262 Da |
| Monoisotopic Mass | 445.262 Da |
| Topological Polar Surface Area | 49.800 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 557.000 |
| 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 |
![N,N-Diisopropyl[3-(2-benzyloxy-5-carboxyphenyl)-3-phenylpropyl]amine - ≥98% , CAS No.701906-29-8](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)