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3-(5-Methyl-4H-1,2,4-triazol-3-yl)aniline hydrate , CAS No.1609406-60-1
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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 | CC1=NC(=NN1)C2=CC(=CC=C2)N.O |
|---|---|
| IUPAC Name | 3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline;hydrate |
| InChIKey | WNNZJFVNICBRSG-UHFFFAOYSA-N |
| INCHI | 1S/C9H10N4.H2O/c1-6-11-9(13-12-6)7-3-2-4-8(10)5-7;/h2-5H,10H2,1H3,(H,11,12,13);1H2 |
| Isomeric SMILES | CC1=NC(=NN1)C2=CC(=CC=C2)N.O |
| PubChem CID | 75530715 |
| Molecular Weight | 192.21 |
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 | 192.220 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 192.101 Da |
| Monoisotopic Mass | 192.101 Da |
| Topological Polar Surface Area | 68.600 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 173.000 |
| 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 | 2 |
Solution Calculators
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