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3-(4-Aminophenyl)-1-(4-methylphenyl)propan-1-ol , CAS No.87082-25-5
AVAILABLE TO ORDER
Storage
Room temperature
Shipped In
Normal
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Why this grade
for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Normal Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications
Storage
Room temperature
Shipped In
Normal
Names and Identifiers
| Canonical Smiles | CC1=CC=C(C=C1)C(CCC2=CC=C(C=C2)N)O |
|---|---|
| IUPAC Name | 3-(4-aminophenyl)-1-(4-methylphenyl)propan-1-ol |
| InChIKey | LXDKDOMPCCTLOP-UHFFFAOYSA-N |
| INCHI | 1S/C16H19NO/c1-12-2-7-14(8-3-12)16(18)11-6-13-4-9-15(17)10-5-13/h2-5,7-10,16,18H,6,11,17H2,1H3 |
| Isomeric SMILES | CC1=CC=C(C=C1)C(CCC2=CC=C(C=C2)N)O |
| PubChem CID | 4313746 |
| Molecular Weight | 241.33 |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| Class | Linear 1,3-diarylpropanoids |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Linear 1,3-diarylpropanoids |
| Alternative Parents | Aniline and substituted anilines Toluenes Secondary alcohols Primary amines Hydrocarbon derivatives Aromatic alcohols |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Linear 1,3-diarylpropanoid - Aniline or substituted anilines - Toluene - Benzenoid - Monocyclic benzene moiety - Secondary alcohol - Organic oxygen compound - Organic nitrogen compound - Aromatic alcohol - Alcohol - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as linear 1,3-diarylpropanoids. These are organic compounds with a structure based on a C6-C3-C6 skeleton, where the two benzene rings are not linked together. |
| External Descriptors | Not available |
3D Structure
Interactive Chemical Structure Model
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Molecular Weight | 241.330 g/mol |
|---|---|
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 241.147 Da |
| Monoisotopic Mass | 241.147 Da |
| Topological Polar Surface Area | 46.300 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 227.000 |
| 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 |
Solution Calculators
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