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CRT0066101Dihydrochloride - ≥98% , CAS No.956121-30-5
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Storage
Room temperature
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Why this grade
≥98% 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
Specifications & Purity
≥98%
Storage
Room temperature
Action Type
INHIBITOR
Purity
≥98%
Names and Identifiers
| Canonical Smiles | CCC(CNC1=NC(=NC2=CC=CC=C21)C3=C(C=CC(=C3)Cl)O)N.Cl.Cl |
|---|---|
| IUPAC Name | 2-[4-[[(2R)-2-aminobutyl]amino]quinazolin-2-yl]-4-chlorophenol;dihydrochloride |
| InChIKey | ASWGDWBLOLWOED-CURYUGHLSA-N |
| INCHI | 1S/C18H19ClN4O.2ClH/c1-2-12(20)10-21-17-13-5-3-4-6-15(13)22-18(23-17)14-9-11(19)7-8-16(14)24;;/h3-9,12,24H,2,10,20H2,1H3,(H,21,22,23);2*1H/t12-;;/m1../s1 |
| Alternate CAS | 956121-30-5 |
| PubChem CID | 136661872 |
| Molecular Weight | 415.74 |
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 | 342.800 g/mol |
|---|---|
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 342.125 Da |
| Monoisotopic Mass | 342.125 Da |
| Topological Polar Surface Area | 84.100 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 399.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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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