N,N-Dimethylimidazole-1-sulfonamide - CAS 78162-58-0
Catalog: |
BB036120 |
Product Name: |
N,N-Dimethylimidazole-1-sulfonamide |
CAS: |
78162-58-0 |
Synonyms: |
N,N-dimethyl-1-imidazolesulfonamide; 1-(N,N-Dimethylsulfamoyl)-1H-imidazole; 1-(N,N-Dimethylsulfamoyl)imidazole; Imidazole-1-sulfonic Acid Dimethylamide; N,N-Dimethyl-1H-imidazole-1-sulfonamide; N,N-Dimethylsulfamoyl-1H-imidazole; NSC 700551 |
IUPAC Name: | N,N-dimethylimidazole-1-sulfonamide |
Description: | 1-(N,N-Dimethylsulfamoyl)-1H-imidazole is an Imidazole derivative, used in the preparation of Histamine H3 Receptor Agonists and druglike angiotensin II compounds with affinity for the AT2 receptor. |
Molecular Weight: | 175.21 |
Molecular Formula: | C5H9N3O2S |
Canonical SMILES: | CN(C)S(=O)(=O)N1C=CN=C1 |
InChI: | InChI=1S/C5H9N3O2S/c1-7(2)11(9,10)8-4-3-6-5-8/h3-5H,1-2H3 |
InChI Key: | YRRWNBMOJMMXQY-UHFFFAOYSA-N |
Boiling Point: | 307.2±25.0°C at 760 mmHg |
Melting Point: | 43-46°C |
Purity: | >95% |
Density: | 1.35±0.1 g/cm3 (Predicted) |
Solubility: | Soluble in Chloroform (Slightly), Methanol (Slightly) |
Appearance: | Pale yellow stick solid |
Storage: | Store at -20°C |
MDL: | MFCD00955713 |
LogP: | 0.61840 |
GHS Hazard Statement: | H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2020190045-A1 | Ferroportin inhibitors and methods of use | 20181213 |
WO-2020123850-A1 | Ferroportin inhibitors and methods of use | 20181213 |
EP-3894416-A1 | Ferroportin inhibitors and methods of use | 20181213 |
WO-2019082951-A1 | Composition, composition for dynamic nuclear polarization, hyperpolarization method, hyperpolarized substance and NMR measurement method | 20171026 |
EP-3702767-A1 | Composition, composition for dynamic nuclear polarization, high polarization method, highly polarized substance, and nmr measuring method | 20171026 |
Complexity: | 218 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.04154771 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.04154771 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 63.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.4 |
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