CAS 102520-97-8 tert-butyl N-(1-hydroxy-2-methylpropan-2-yl)carbamate (HCID 14578673)

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Grundinformationen

CAS: 102520-97-8
Standard-SMILES: CC(C)(CO)NC(=O)OC(C)(C)C
InChIKey: SBWYTQQSTIUXOP-UHFFFAOYSA-N
Summenformel: C9H19NO3
Durchschnittliche Molmasse: 189,25 g/mol
Monoisotopische Masse: 189,13649347

Namen und Bezeichner

Bevorzugter Name: tert-butyl N-(1-hydroxy-2-methylpropan-2-yl)carbamate
IUPAC: tert-butyl N-(1-hydroxy-2-methylpropan-2-yl)carbamate
Englischer Name: N-Boc-2-amino-2-methyl-1-propanol 97
Summenformel: C9H19NO3
Molmasse: 189.25

Namen und Synonyme

tert-butyl N-(1-hydroxy-2-methylpropan-2-yl)carbamateRefChem:895368627-147-9102520-97-8tert-butyl (1-hydroxy-2-methylpropan-2-yl)carbamateN-Boc-2-amino-2-methyl-1-propanol2-(BOC-AMINO)-2-METHYL-1-PROPANOLBOC-AIB-OLMFCD03788641tert-butyl N-(2-hydroxy-1,1-dimethyl-ethyl)carbamate(2-Hydroxy-1,1-dimethyl-ethyl)-carbamic acid tert-butyl esterCARBAMIC ACID, (2-HYDROXY-1,1-DIMETHYLETHYL)-, 1,1-DIMETHYLETHYL ESTER

Weitere Namen anzeigen

N-Boc-2-aMino-2-Methylpropan-1-olN-Boc-2-aMino-2-Methyl-1-propanol 97%N-Boc-2-amino-2-methyl-1-propanol 97tert-Butyl (1-hydroxy-2-methylpropan-2-yl)N-BOC-2-AMINO-2-METHYL-1-PROPANOL 97 USP/EP/BPert-butylN-(1-hydroxy-2-methylpropan-2-yl)carbamate

CARBAMIC ACID, N-(2-HYDROXY-1,1-DIMETHYLETHYL)-, 1,1-DIMETHYLETHYL ESTERtert-Butyl N-(2-hydroxy-1,1-dimethylethyl)carbamateTERT-BUTYL (2-HYDROXY-1,1-DIMETHYLETHYL)CARBAMATE2 -tert-butoxycarbonylamino-2-methylpropanolN-tert-Butoxycarbonyl-2-amino-2-methyl-1-propanoltert-butyl(1-hydroxy-2-methylpropan-2-yl)carbamate(2-Hydroxy-1,1-dimethylethyl)carbamic acid t-butyl ester(2-hydroxy-1,1-dimethyl ethyl)-carbamic acid t-butyl ester

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,9
Polarare Oberfläche (TPSA): 58,6 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 4
Schwere Atome: 13
Formalladung: 0
Komplexität: 182

Physikochemische Eigenschaften

Schmelzpunkt: 57 · 57-62 °C
Siedepunkt: 286.5 · 286.5±23.0 °C(Predicted)
Dichte: 1.012 · 1.012±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Löslichkeit: soluble in Methanol
Aggregatzustand: powder to crystal
pka: 12.24 · 12.24±0.46(Predicted)
Farbe: White to Almost white
InChI: 1S/C9H19NO3/c1-8(2,3)13-7(12)10-9(4,5)6-11/h11H,6H2,1-5H3,(H,10,12)
InChIKey: SBWYTQQSTIUXOP-UHFFFAOYSA-N
SMILES: CC(C)(C)OC(=O)NC(C)(C)CO

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 2
hs_code: 2924297099
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwendentert-Butyl (1-Hydroxy-2-methylpropan-2-yl)carbamate is used in preparation of diamine derivatives as KCa3.1 potassium channel inhibitors.