CAS 78162-58-0 N,N-Dimethyl-1H-imidazole-1-sulfonamide (HCID 395751)

Names & identifiers

Preferred name: N,N-Dimethyl-1H-imidazole-1-sulfonamide
IUPAC: N,N-dimethylimidazole-1-sulfonamide
English name: Imidazole-1-sulfonic acid dimethyl amine
Molecular formula: C5H9N3O2S
Molecular weight: 175.21

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

XLogP: -0.4
Topological polar surface area: 63.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 218

Physicochemical properties

Melting point: 48 · 48-51 °C (lit.)
Boiling point: 83 · 83-87 °C(Press: 0.6 Torr)
Density: 1.35 · 1.35±0.1 g/cm3(Predicted)
Flash point: 230 °F · 230 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Solid
pka: 2.41 · 2.41±0.10(Predicted)
color: 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 DataBase Reference: 78162 · 78162-58-0(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 302 · P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
Hazard Note: Harmful
HazardClass: IRRITANT
HS Code: 2933299090 · 2933299090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

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.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (97.6%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 2933299090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Harmful
safety_code: 26-36
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P302+P352-P305+P351+P338

Chemistry & industry

Applications · 4 items

Uses1-(N,N-Dimethylsulfamoyl)-1H-imidazole is an Imidazole (I350200) derivative, used in the preparation of Histamine H3 Receptor Agonists and druglike angiotensin II compounds with affinity for the AT2 receptor.

Uses1-(Dimethylsulfamoyl)imidazole may be used to synthesize 1-(dimethylsulfamoyl)-2-imidazolecarboxaldehyde.

UsesIMIDAZOLE-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.

General Description1-(Dimethylsulfamoyl)imidazole is an imidazole derivative.