1. Primary Information
| English name: | 3-(2-Ethylphenoxy)-1-(1,2,3,4-tetrahydronaphth-1-ylamino)-2-propanol oxalate |
| CAS No.: | 174689-39-5 |
| Molecular formula: | C23H29NO6 |
| Molecular weight: | 415.5 g/mol |
| SMILES: | CCC1=CC=CC=C1OCC(CNC2CCCC3=CC=CC=C23)O.C(=O)(C(=O)O)O |
| Structural class: | |
| Other identifiers: |
3-(2-ethylphenoxy)-1-(1,2,3,4-tetrahydronaphth-1-ylamino)-2-propanol oxalate SR 59230A SR-59230A SR59230A |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 1mg | 98% | 256 | -20℃ | in stock | - |
| Kehua Intelligence | 5mg | 98% | 384 | -20℃ | in stock | - |
| Kehua Intelligence | 25mg | 98% | 1152 | -20℃ | in stock | - |
| Kehua Intelligence | 100mg | 98% | 3200 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(2S)-1-(2-ethylphenoxy)-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-ol;oxalic acid
4.2 InChI
InChI=1S/C21H27NO2.C2H2O4/c1-2-16-8-4-6-13-21(16)24-15-18(23)14-22-20-12-7-10-17-9-3-5-11-19(17)20;3-1(4)2(5)6/h3-6,8-9,11,13,18,20,22-23H,2,7,10,12,14-15H2,1H3;(H,3,4)(H,5,6)/t18-,20-;/m0./s1
4.3 InChIKey
XTBQNQMNFXNGLR-MKSBGGEFSA-N
4.4 Canonical SMILES
CCC1=CC=CC=C1OCC(CNC2CCCC3=CC=CC=C23)O.C(=O)(C(=O)O)O
4.5 Isomeric SMILES
CCC1=CC=CC=C1OC[C@H](CN[C@H]2CCCC3=CC=CC=C23)O.C(=O)(C(=O)O)O
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
-- No 3D model data available --
