CAS 147252-84-4 tert-butyl N-(1-hydroxypropan-2-yl)carbamate (HCID 545701)

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Grundinformationen

CAS: 147252-84-4
Standard-SMILES: CC(CO)NC(=O)OC(C)(C)C
InChIKey: PDAFIZPRSXHMCO-UHFFFAOYSA-N
Summenformel: C8H17NO3
Durchschnittliche Molmasse: 175,23 g/mol
Monoisotopische Masse: 175,1208434

Namen und Bezeichner

Bevorzugter Name: tert-butyl N-(1-hydroxypropan-2-yl)carbamate
IUPAC: tert-butyl N-(1-hydroxypropan-2-yl)carbamate
Englischer Name: N-BOC-D/L-ALANINOL
Summenformel: C8H17NO3
Molmasse: 175.23

Namen und Synonyme

tert-butyl N-(1-hydroxypropan-2-yl)carbamateRefChem:895372626-862-3147252-84-4tert-Butyl (1-hydroxypropan-2-yl)carbamateN-Boc-DL-alaninolN-tert-Butyloxycarbonyl DL-AlaninolN-Boc-DL-2-amino-1-propanolMFCD04973335Carbamic acid, N-(2-hydroxy-1-methylethyl)-, 1,1-dimethylethyl esterTERT-BUTYL 1-HYDROXYPROPAN-2-YLCARBAMATEN-BOC-D/L-ALANINOL

Weitere Namen anzeigen

Boc-DL-Ala-olBoc-DL-propanemol1-Boc-D/L-AlaninolIfosfamide Impurity 25N-BOC-2-Amino-1-propanol 95%N-Boc-DL-2-amino-1-propanol 95%

N-BOC-2-Amino-1-propanol(2-Hydroxy-1-methylethyl)-carbamic Acid 1,1-Dimethylethyl EsterN-tert-Butoxycarbonyl-L-alaninol(R)-(+)-2-(tert-Butoxycarbonylamino)-1-propanolCarbamic acid, (2-hydroxy-1-methylethyl)-, 1,1-dimethylethyl esterN-((1S)-2-hydroxy-isopropyl)(tert-butoxy)carboxamide2-(boc-amino)-1-propanolSCHEMBL69002

Datenbank-Bezeichner

CAS: 147252-84-4

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,7
Polarare Oberfläche (TPSA): 58,6 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 4
Schwere Atome: 12
Formalladung: 0
Komplexität: 151

Physikochemische Eigenschaften

Schmelzpunkt: 52 · 52-59 °C
Siedepunkt: 276.4 ℃ · 276.4℃
Dichte: 1.025 · 1.025
Flammpunkt: 118 · 118-120 °F
storage temp.: 2 · 2-8°C
Löslichkeit: Chloroform
Aggregatzustand: Solid
pka: 12.11 · 12.11±0.46(Predicted)
Farbe: Off-white
InChI: 1S/C8H17NO3/c1-6(5-10)9-7(11)12-8(2,3)4/h6,10H,5H2,1-4H3,(H,9,11)
InChIKey: PDAFIZPRSXHMCO-UHFFFAOYSA-N
SMILES: CC(CO)NC(=O)OC(C)(C)C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H228 (100%): Flammable solid [Danger Flammable solids]；H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P210, P240, P241, P264, P270, P280, P301+P316, P321, P330, P370+P378, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.