1. Primary Information
| English name: | 1-(4-Amino-5-chloro-2-methoxyphenyl)-3-[1-butyl-4-piperidinyl]-1-propanone hydrochloride |
| CAS No.: | 168986-60-5 |
| Molecular formula: | C19H30Cl2N2O2 |
| Molecular weight: | 389.4 g/mol |
| SMILES: | CCCCN1CCC(CC1)CCC(=O)C2=CC(=C(C=C2OC)N)Cl.Cl |
| Structural class: | |
| Other identifiers: |
RS 67333 RS 67333, monohydrochloride RS-67333 RS67333 |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | 98% | 680 | -20℃ | in stock | - |
| Kehua Intelligence | 10mg | 98% | 1120 | -20℃ | in stock | - |
| Kehua Intelligence | 25mg | 98% | 2240 | -20℃ | in stock | - |
| Kehua Intelligence | 100mg | 98% | 6800 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
1-(4-amino-5-chloro-2-methoxyphenyl)-3-(1-butylpiperidin-4-yl)propan-1-one;hydrochloride
4.2 InChI
InChI=1S/C19H29ClN2O2.ClH/c1-3-4-9-22-10-7-14(8-11-22)5-6-18(23)15-12-16(20)17(21)13-19(15)24-2;/h12-14H,3-11,21H2,1-2H3;1H
4.3 InChIKey
XVBGLZNYWUUAFF-UHFFFAOYSA-N
4.4 Canonical SMILES
CCCCN1CCC(CC1)CCC(=O)C2=CC(=C(C=C2OC)N)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 --
