O-(1,1-ジメチルエチル)ヒドロキシルアミン·塩酸塩

O-tert-butylhydroxylamine hydrochloride

HCID 2777906

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 39684-28-1
標準SMILES: CC(C)(C)ON.Cl
InChIKey: ZBDXGNXNXXPKJI-UHFFFAOYSA-N
分子式: C4H12ClNO
平均分子量: 125.6 g/mol
単同位体質量: 125.06074168

名称と識別子

優先名称: O-tert-butylhydroxylamine hydrochloride
IUPAC: O-tert-butylhydroxylamine;hydrochloride
現地名: O-(1,1-ジメチルエチル)ヒドロキシルアミン·塩酸塩
英語名: O-tert-Butylhydroxylamine hydrochloride
分子式: C4H12ClNO
分子量: 125.6

名称と別名

39684-28-1O-tert-Butylhydroxylamine hydrochlorideO-tert-Butylhydroxylamine HClEINECS 254-590-1DTXSID40192776RefChem:855326DTXCID80115267254-590-1O-(tert-Butyl)hydroxylamine hydrochlorideO-tert-butylhydroxylamine;hydrochloridetert-butoxyamine hydrochlorideMFCD00043272

名称をさらに表示

O-(1,1-ジメチルエチル)ヒドロキシルアミン·塩酸塩O-tert-ブチルヒドロキシルアミン·塩酸塩O-(tert-ブチル)ヒドロキシルアミン塩酸塩tert-ブトキシアミン塩酸塩O-TERT-ブチルヒドロキシルアミン塩酸塩O-TERT-ブチルヒドロキシルアミン塩酸塩O-(1,1-ジメチルエチル)ヒドロキシルアミン・塩酸塩O-tert-ブチルヒドロキシルアミン・塩酸塩O-(tert-Butyl)LABOTEST-BB LT00233214O-Tert-ButylhydroxylamineHClO-tert-butylhydroxyaminehydrochlorideO-(tert-Butyl)hydroxylamine hydrochloride,99%O-(tert-Butyl)hydroxylamine hydrochloride 98%

O-t-Butylhydroxylamine hydrochlorideHydroxylamine, O-(1,1-dimethylethyl)-, hydrochloride2-Aminooxy-2-methylpropane hydrochlorideO-tertbutylhydroxylamine hydrochlorideO-tert-butyl-hydroxylamine hydrochlorideBP-13192O-(1,1-Dimethylethyl)hydroxylamine hydrochlorideo-(tert-butyl)hydroxylaminehydrochloride

データベース識別子

CAS: 39684-28-1
PubChem CID: 2777906
DTXSID: DTXSID40192776
UNII: SGG3WH3XTX
EC Number: 254-590-1

物性

構造計算による物性

極性表面積: 35.3 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 7
形式電荷: 0
複雑度: 37.3

物理化学的性質

融点: 158 · 158-159 °C(lit.)
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: 2 O: · H2O: 可溶0.5g/10mL
外見: powder to crystal
色: White to Almost white
水溶解度: 2 O: · H2O: soluble 0.5g/10 mL
BRN: 3668106 · 3668106
InChI: InChI=1S/C4H11NO.ClH/c1-4(2,3)6-5;/h5H2,1-3H3;1H
InChIKey: ZBDXGNXNXXPKJI-UHFFFAOYSA-N
SMILES: C(C)(C)(C)ON.Cl

化学的性質

化学的特性White crystalline powder

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H228 (98.6%): Flammable solid [Danger Flammable solids]

P210, P240, P241, P280, and P370+P378 (click each P-code to see the statement)

Aggregated GHS information provided per 70 reports by companies from 4 notifications to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesFlam. Sol. 2 (98.6%)

安全データ

F: 10
wgk: 3
ridadr: UN 1325 4.1/PG 3
hs_code: 29280090
risk_code: 11
hazard_code: F
hazard_class: 4.1
packing_group: Ⅲ
Hazard Classifications: Flam. Sol. 2
ストレージクラス: 4.1B - Flammable solid hazardous materials

化学と産業

応用分野 · 1 件

使用O-tert-Butylhydroxylamine Hydrochloride is an reactant used in various synthesis of biologically active molecules such as camptothecin derivatives that exerts anti-tumor activity, oxime derivatives as GPR119 agonists and their preparation and highly Potent Matrix Metalloproteinase Inhibitors.