1. Primary Information
| English name: | 3,5-Diaminobenzoic acid |
| CAS No.: | 535-87-5 |
| Molecular formula: | C7H8N2O2 |
| Molecular weight: | 152.15 g/mol |
| SMILES: | C1=C(C=C(C=C1N)N)C(=O)O |
| Structural class: | |
| Other identifiers: |
3,5-diaminobenzoic acid 3,5-diaminobenzoic acid, dihydrochloride 3,5-diaminobenzoic acid, monosodium salt |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 100mg | HPLC≥99% | 158 | 2-8℃ | in stock | - |
| Kehua Intelligence | 25g | 98% | 24 | 2-8℃ | in stock | - |
| Kehua Intelligence | 100g | 98% | 64 | 2-8℃ | in stock | - |
| Kehua Intelligence | 500g | 98% | 312 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
3,5-diaminobenzoic acid
4.2 InChI
InChI=1S/C7H8N2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,8-9H2,(H,10,11)
4.3 InChIKey
UENRXLSRMCSUSN-UHFFFAOYSA-N
4.4 Canonical SMILES
C1=C(C=C(C=C1N)N)C(=O)O
4.5 Isomeric SMILES
-
4.6 SDF file
Coming soon
5. Spectroscopic data
5.1 13C nuclear magnetic resonance (13C NMR)
5.2 1H nuclear magnetic resonance (1H NMR)
5.3 Mass spectrometry (MS)
Coming soon
5.4 Infrared spectroscopy (IR)
Coming soon
5.5 Ultraviolet/visible spectroscopy (UV/Vis)
Coming soon
