N-Boc-serinol

HCID 10631565

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Grundinformationen

CAS: 125414-41-7
Standard-SMILES: CC(C)(C)OC(=O)NC(CO)CO
InChIKey: JHBKBRLRYPYBLP-UHFFFAOYSA-N
Summenformel: C8H17NO4
Durchschnittliche Molmasse: 191,22 g/mol
Monoisotopische Masse: 191,11575802

Namen und Bezeichner

Bevorzugter Name: N-Boc-serinol
IUPAC: tert-butyl N-(1,3-dihydroxypropan-2-yl)carbamate
Englischer Name: N-BOC-SERINOL, 97
Summenformel: C8H17NO4
Molmasse: 191.23

Namen und Synonyme

N-Boc-serinol125414-41-7DTXSID20442706RefChem:363503DTXCID20393527625-706-1tert-Butyl (1,3-dihydroxypropan-2-yl)carbamateTert-butyl N-(1,3-dihydroxypropan-2-yl)carbamatet-Butyl 1,3-dihydroxypropan-2-ylcarbamateMFCD002702132-(Boc-amino)-1,3-propanediolCarbamic acid, N-[2-hydroxy-1-(hydroxymethyl)ethyl]-, 1,1-dimethylethyl ester

Weitere Namen anzeigen

Boc-ser.olBoc-L-Ser-OLN-BOC-SERINOL, 97N-Boc-serinol 97%tert-Butyl (1,3-dihydroxypropan-2-yl)

tert-butyl 1,3-dihydroxypropan-2-ylcarbamatetert-butyl N-[2-hydroxy-1-(hydroxymethyl)ethyl]carbamateDS-18493SY020146EN300-84185Boc-serinolboc-ser-olN -Boc-serinol

Datenbank-Bezeichner

CAS: 125414-41-7
PubChem CID: 10631565
DTXSID: DTXSID20442706
EC Number: 625-706-1
Nikkaji: J785.784E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,4
Polarare Oberfläche (TPSA): 78,8 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 5
Schwere Atome: 13
Formalladung: 0
Komplexität: 160

Physikochemische Eigenschaften

Schmelzpunkt: 85 · 85-89 °C
Siedepunkt: 363 · 363.0±32.0 °C(Predicted)
Dichte: 1.136 · 1.136±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: Solid
pka: 11.6 · 11.60±0.46(Predicted)
Farbe: White to off-white
InChI: InChI=1S/C8H17NO4/c1-8(2,3)13-7(12)9-6(4-10)5-11/h6,10-11H,4-5H2,1-3H3,(H,9,12)
InChIKey: JHBKBRLRYPYBLP-UHFFFAOYSA-N
SMILES: C(OC(C)(C)C)(=O)NC(CO)CO

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.；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.