O-tert-Butylhydroxylaminhydrochlorid

O-tert-butylhydroxylamine hydrochloride

HCID 2777906CAS 39684-28-1

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Grundinformationen

Standard-SMILES: CC(C)(C)ON.Cl
InChIKey: ZBDXGNXNXXPKJI-UHFFFAOYSA-N
Summenformel: C4H12ClNO
Durchschnittliche Molmasse: 125,6 g/mol
Monoisotopische Masse: 125,06074168

Namen und Bezeichner

Bevorzugter Name: O-tert-butylhydroxylamine hydrochloride
IUPAC: O-tert-butylhydroxylamine;hydrochloride
Lokaler Name: O-tert-Butylhydroxylaminhydrochlorid
Englischer Name: O-tert-Butylhydroxylamine hydrochloride
Summenformel: C4H12ClNO
Molmasse: 125.6

Namen und Synonyme

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

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 35,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 7
Formalladung: 0
Komplexität: 37,3

Physikochemische Eigenschaften

Schmelzpunkt: 158 · 158-159 °C(lit.)
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: 2 O: · H2O: soluble0.5g/10 mL
Aggregatzustand: powder to crystal
Farbe: White to Almost white
Wasserlöslichkeit: 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

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

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

Sicherheitsdaten

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
Speicherklasse: 4.1B - Flammable solid hazardous materials
Hazard Classifications: Flam. Sol. 2

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenO-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.