N,N-ジメチル-1H-イミダゾール-1-スルホンアミド

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

HCID 395751CAS 78162-58-0

部分構造検索類似構造を探す

基本情報

標準SMILES: CN(C)S(=O)(=O)n1ccnc1
InChIKey: YRRWNBMOJMMXQY-UHFFFAOYSA-N
分子式: C5H9N3O2S
平均分子量: 175.21 g/mol
単同位体質量: 175.04154753

名称と識別子

優先名称: N,N-Dimethyl-1H-imidazole-1-sulfonamide
IUPAC: N,N-dimethylimidazole-1-sulfonamide
現地名: N,N-ジメチル-1H-イミダゾール-1-スルホンアミド
英語名: Imidazole-1-sulfonic acid dimethyl amine
分子式: C5H9N3O2S
分子量: 175.21

名称と別名

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

名称をさらに表示

N,N-ジメチル-1H-イミダゾール-1-スルホンアミド1-(ジメチルスルファモイル)イミダゾールN,N-ジメチルイミダゾール-1-スルホンアミド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

データベース識別子

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

物性

構造計算による物性

XLogP: -0.4
極性表面積: 63.6 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 2
重原子数: 11
形式電荷: 0
複雑度: 218

物理化学的性質

融点: 48 · 48-51 °C (lit.)
沸点: 83 · 83-87 °C(Press: 0.6 Torr)
比重(密度): 1.35 · 1.35±0.1 g/cm3(Predicted)
闪点: 230 °F · 230 °F
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: クロロホルム（微量）、メタノール（微量）
外見: 個体
酸解離定数(Pka): 2.41 · 2.41±0.10(Predicted)
色: ペールイエロースティック
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 データベース: 78162 · 78162-58-0(CAS DataBase Reference)

化学的性質

化学的特性IMIDAZOLE-1-SULFONIC ACID DIMETHYL AMINE is Yellow Semi-Solid

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (97.6%)

安全データ

wgk: 3
hs_code: 2933299090
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Harmful
safety_code: 26-36
hazard_class: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

使用IMIDAZOLE-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.

一般的な説明1-(Dimethylsulfamoyl)imidazole is an imidazole derivative.