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3,5-Diamino-N-(pyridin-3-ylmethyl)benzamide - ≥95% , CAS No.1174642-69-3
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
Storage
Room temperature
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Why this grade
≥95% 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
≥95%
Storage
Room temperature
Purity
≥95%
Names and Identifiers
| Canonical Smiles | C1=CC(=CN=C1)CNC(=O)C2=CC(=CC(=C2)N)N |
|---|---|
| IUPAC Name | 3,5-diamino-N-(pyridin-3-ylmethyl)benzamide |
| InChIKey | BVGLECMQARBFOT-UHFFFAOYSA-N |
| INCHI | 1S/C13H14N4O/c14-11-4-10(5-12(15)6-11)13(18)17-8-9-2-1-3-16-7-9/h1-7H,8,14-15H2,(H,17,18) |
| Isomeric SMILES | C1=CC(=CN=C1)CNC(=O)C2=CC(=CC(=C2)N)N |
| PubChem CID | 61094731 |
| Molecular Weight | 242.27 |
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 | 242.280 g/mol |
|---|---|
| XLogP3 | 0.300 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 242.117 Da |
| Monoisotopic Mass | 242.117 Da |
| Topological Polar Surface Area | 94.000 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 274.000 |
| 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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