1. Primary Information
| English name: | 1-((5-Chloronaphthalen-1-yl)sulfonyl)-1,4-diazepane hydrochloride |
| CAS No.: | 105637-50-1 |
| Molecular formula: | C15H18Cl2N2O2S |
| Molecular weight: | 361.3 g/mol |
| SMILES: | C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CC=C3Cl.Cl |
| Structural class: | |
| Other identifiers: |
1-(5-chloronaphthalene-1-sulfonyl)-1H-hexahydro-1,4-diazepine ML 9 ML-9 |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | 98% | 307 | 2-8℃ | in stock | - |
| Kehua Intelligence | 25mg | 98% | 627 | 2-8℃ | in stock | - |
| Kehua Intelligence | 100mg | 98% | 1472 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
1-(5-chloronaphthalen-1-yl)sulfonyl-1,4-diazepane;hydrochloride
4.2 InChI
InChI=1S/C15H17ClN2O2S.ClH/c16-14-6-1-5-13-12(14)4-2-7-15(13)21(19,20)18-10-3-8-17-9-11-18;/h1-2,4-7,17H,3,8-11H2;1H
4.3 InChIKey
ZNRYCIVTNLZOGI-UHFFFAOYSA-N
4.4 Canonical SMILES
C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CC=C3Cl.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 --
