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2-Isopropoxy-4-(4-methylpiperazin-1-yl)aniline , CAS No.1280594-97-9
AVAILABLE TO ORDER
Storage
Room temperature
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Why this grade
for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships 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
Names and Identifiers
| Canonical Smiles | CC(C)OC1=C(C=CC(=C1)N2CCN(CC2)C)N |
|---|---|
| IUPAC Name | 4-(4-methylpiperazin-1-yl)-2-propan-2-yloxyaniline |
| InChIKey | IRGBROWUJHZCIN-UHFFFAOYSA-N |
| INCHI | 1S/C14H23N3O/c1-11(2)18-14-10-12(4-5-13(14)15)17-8-6-16(3)7-9-17/h4-5,10-11H,6-9,15H2,1-3H3 |
| Isomeric SMILES | CC(C)OC1=C(C=CC(=C1)N2CCN(CC2)C)N |
| PubChem CID | 75487544 |
| Molecular Weight | 249.35 |
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
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 | 249.350 g/mol |
|---|---|
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 249.184 Da |
| Monoisotopic Mass | 249.184 Da |
| Topological Polar Surface Area | 41.700 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 251.000 |
| 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 |
Solution Calculators
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