1. Primary Information
| English name: | (+/-)-AC 7954 Hydrochloride |
| CAS No.: | 477313-09-0 |
| Molecular formula: | C19H21Cl2NO2 |
| Molecular weight: | 366.3 g/mol |
| SMILES: | CN(C)CCC1(CC2=CC=CC=C2C(=O)O1)C3=CC=C(C=C3)Cl.Cl |
| Structural class: | |
| Other identifiers: |
3-(4-chlorophenyl)-3-(2-(dimethylamino)ethyl)isochroman-1-one AC 7954 AC-7954 AC7954 |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | 98% | 960 | -20℃ | in stock | - |
| Kehua Intelligence | 10mg | 98% | 1440 | -20℃ | in stock | - |
| Kehua Intelligence | 25mg | 98% | 2880 | -20℃ | in stock | - |
| Kehua Intelligence | 100mg | 98% | 8640 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
3-(4-chlorophenyl)-3-[2-(dimethylamino)ethyl]-4H-isochromen-1-one;hydrochloride
4.2 InChI
InChI=1S/C19H20ClNO2.ClH/c1-21(2)12-11-19(15-7-9-16(20)10-8-15)13-14-5-3-4-6-17(14)18(22)23-19;/h3-10H,11-13H2,1-2H3;1H
4.3 InChIKey
AJPGLOWFIBOGMH-UHFFFAOYSA-N
4.4 Canonical SMILES
CN(C)CCC1(CC2=CC=CC=C2C(=O)O1)C3=CC=C(C=C3)Cl.Cl
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
-- No 3D model data available --
