≥96% 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.
| ALogP | 3.3 |
|---|
| Canonical Smiles | C1=CC=C(C=C1)NC=CC=NC2=CC=CC=C2 |
|---|---|
| IUPAC Name | N-[(E)-3-phenyliminoprop-1-enyl]aniline |
| InChIKey | ZFYNTCNECVPHDZ-RMPAWCBFSA-N |
| INCHI | 1S/C15H14N2/c1-3-8-14(9-4-1)16-12-7-13-17-15-10-5-2-6-11-15/h1-13,16H/b12-7+,17-13? |
| Isomeric SMILES | C1=CC=C(C=C1)N/C=C/C=NC2=CC=CC=C2 |
| Alternate CAS | 28140-60-5 |
| Molecular Weight | 222.28 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Aniline and substituted anilines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aniline and substituted anilines |
| Alternative Parents | Secondary alkylarylamines Shiff bases Propargyl-type 1,3-dipolar organic compounds Enamines Allylamines Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Shiff base - Aldimine - Enamine - Allylamine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Imine - Organopnictogen compound - Amine - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety. |
| External Descriptors | Not available |
| Boil Point(°C) | 361.9±38.0 °C(Predicted) |
|---|---|
| Melt Point(°C) | 111-113 °C |
| Molecular Weight | 222.280 g/mol |
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 222.116 Da |
| Monoisotopic Mass | 222.116 Da |
| Topological Polar Surface Area | 24.400 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 246.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
L2519183