N,N-Dimethyl-1H-imidazole-1-sulfonamide

HCID 395751CAS 78162-58-0

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Grundinformationen

Standard-SMILES: CN(C)S(=O)(=O)n1ccnc1
InChIKey: YRRWNBMOJMMXQY-UHFFFAOYSA-N
Summenformel: C5H9N3O2S
Durchschnittliche Molmasse: 175,21 g/mol
Monoisotopische Masse: 175,04154753

Namen und Bezeichner

Bevorzugter Name: N,N-Dimethyl-1H-imidazole-1-sulfonamide
IUPAC: N,N-dimethylimidazole-1-sulfonamide
Englischer Name: Imidazole-1-sulfonic acid dimethyl amine
Summenformel: C5H9N3O2S
Molmasse: 175.21

Namen und Synonyme

78162-58-0N,N-Dimethyl-1H-imidazole-1-sulfonamideDTXSID20327908RefChem:822396DTXCID20279019626-723-7N,N-dimethylimidazole-1-sulfonamide1-(Dimethylsulfamoyl)imidazoleN,N-Dimethyl imidazole-1-sulfonamideImidazole-1-sulfonic acid dimethyl amineMFCD009557131-(n,n-dimethylsulfamoyl)-1h-imidazole

Weitere Namen anzeigen

Dexmedetomidine Impurity 271-(Dimethylsulfamoyl)-1H-imidazoleN,N-dimethylimidazol-1-sulfonamide1-(Dimethylsulphamoyl)-1H-imidazoleN,N-Dimethyl-1H-imidazol-1-sulfonamide

1H-IMIDAZOLE-1-SULFONAMIDE, N,N-DIMETHYL-Imidazole-1-sulfonic acid dimethylamide1-(dimethylaminosulfonyl)-imidazole1-(N,N-dimethylsulfamoyl)imidazoleN,N-Dimethyl-imidazole-1-sulfonamideN,N-dimethyl imidazole-1-sulphonamide1-(N,N-Dimethylsulfamoyl)imidazole; Imidazole-1-sulfonic Acid Dimethylamide; N,N-Dimethyl-1H-imidazole-1-sulfonamide; N,N-Dimethylsulfamoyl-1H-imidazole; NSC 700551NSC700551

Datenbank-Bezeichner

CAS: 78162-58-0
PubChem CID: 395751
DTXSID: DTXSID20327908
ChEMBL: CHEMBL1479124
EC Number: 626-723-7
Nikkaji: J2.110.751D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,4
Polarare Oberfläche (TPSA): 63,6 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 218

Physikochemische Eigenschaften

Schmelzpunkt: 48 · 48-51 °C (lit.)
Siedepunkt: 83 · 83-87 °C(Press: 0.6 Torr)
Dichte: 1.35 · 1.35±0.1 g/cm3(Predicted)
Flammpunkt: 230 °F · 230 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 2.41 · 2.41±0.10(Predicted)
Farbe: Pale Yellow
InChI: InChI=1S/C5H9N3O2S/c1-7(2)11(9,10)8-4-3-6-5-8/h3-5H,1-2H3
InChIKey: YRRWNBMOJMMXQY-UHFFFAOYSA-N
SMILES: C1N(S(N(C)C)(=O)=O)C=CN=1
CAS Datenbank: 78162 · 78162-58-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (97.6%)

Sicherheitsdaten

wgk: 3
hs_code: 2933299090
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Harmful
safety_code: 26-36
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

VerwendenIMIDAZOLE-1-SULFONIC ACID DIMETHYL AMINE is an Imidazole (I350200) derivative, used in the preparation of Histamine H3 Receptor Agonists and druglike angiotensin II compounds with affinity for the AT2 r eceptor.