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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| ALogP | 2.4 |
|---|
| Canonical Smiles | C1=CC=C(C=C1)OCC2=CC(=CC=C2)C(=N)N |
|---|---|
| IUPAC Name | 3-(phenoxymethyl)benzenecarboximidamide |
| InChIKey | RZNBPLWRIVTCIZ-UHFFFAOYSA-N |
| INCHI | 1S/C14H14N2O/c15-14(16)12-6-4-5-11(9-12)10-17-13-7-2-1-3-8-13/h1-9H,10H2,(H3,15,16) |
| Isomeric SMILES | C1=CC=C(C=C1)OCC2=CC(=CC=C2)C(=N)N |
| Molecular Weight | 226.27 |
| Reaxy-Rn | 25966466 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25966466&ln= |
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 |
| Class | Phenol ethers |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenol ethers |
| Alternative Parents | Phenoxy compounds Alkyl aryl ethers Carboximidamides Carboxamidines Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Carboximidamide - Ether - Carboxylic acid amidine - Amidine - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring. |
| External Descriptors | Not available |
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Molecular Weight | 226.270 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 226.111 Da |
| Monoisotopic Mass | 226.111 Da |
| Topological Polar Surface Area | 59.100 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 249.000 |
| 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 |
| 1. Changhai Zhang, Kai Hu, Hongbowen Cui, Xubin Wang, Wenju Wu, Tiandong Zhang, Yunqi Xing, Chao Tang, Qingguo Chi. (2025) Molecular Regulation of Thermal Conductivity and Dielectric Properties of Boron Nitride–Alumina Complex-Filled Epoxy Resin Composites. ACS Applied Polymer Materials, [PMID:] [10.1021/acsapm.5c01334] |
