tert-butyl N-(2-hydroxyethyl)carbamate

HCID 2733206CAS 26690-80-2

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Grundinformationen

Standard-SMILES: CC(C)(C)OC(=O)NCCO
InChIKey: GPTXCAZYUMDUMN-UHFFFAOYSA-N
Summenformel: C7H15NO3
Durchschnittliche Molmasse: 161,2 g/mol
Monoisotopische Masse: 161,10519334

Namen und Bezeichner

Bevorzugter Name: tert-butyl N-(2-hydroxyethyl)carbamate
IUPAC: tert-butyl N-(2-hydroxyethyl)carbamate
Englischer Name: TERT-BUTYL N-(2-HYDROXYETHYL)CARBAMATE
Summenformel: C7H15NO3
Molmasse: 161.2

Namen und Synonyme

26690-80-2tert-Butyl N-(2-hydroxyethyl)carbamateGPTXCAZYUMDUMN-UHFFFAOYSA-DTXSID10369791RefChem:188209DTXCID10320827675-176-0InChI=1/C7H15NO3/c1-7(2,3)11-6(10)8-4-5-9/h9H,4-5H2,1-3H3,(H,8,10)N-Boc-ethanolamineBoc-glycinoltert-butyl (2-hydroxyethyl)carbamateBoc-NH-PEG1-OH

Weitere Namen anzeigen

BOC-ETHANOLAMINE2-(N-tert-butoxycarbonylamino)ethanolBOC-GLY-OLN-BOC-AMINOETHANOL2-Boc-ethanolamine

N-(tert-Butoxycarbonyl)ethanolaminetert-butyl 2-hydroxyethylcarbamateMFCD00056657N-(2-Hydroxyethyl)carbamic Acid tert-Butyl Ester2-(tert-butoxycarbonylamino)ethanol2-(tert-Butoxycarbonylamino)-1-ethanolBocNH-PEG1-OHtert-butyl(2-hydroxyethyl)carbamate

Datenbank-Bezeichner

CAS: 26690-80-2
PubChem CID: 2733206
DTXSID: DTXSID10369791
EC Number: 675-176-0
Nikkaji: J845.221K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,2
Polarare Oberfläche (TPSA): 58,6 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 4
Schwere Atome: 11
Formalladung: 0
Komplexität: 128

Physikochemische Eigenschaften

Schmelzpunkt: 150 °C · 150 °C
Siedepunkt: 92 ℃/0.22mm · 92℃/0.22mm
Dichte: 1.042 g/mL · 1.042 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.449(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Sparingly), Methanol (Slightly)
pka: 12.01 · 12.01±0.46(Predicted)
Aggregatzustand: viscous liquid
Farbe: clear, light yellow
Wichte: 1.042 · 1.042
Wasserlöslichkeit: 1 % · Soluble in water or 1% acetic acid. Soluble in ethyl acetate and methanol.
BRN: 2353995 · 2353995
InChI: InChI=1S/C7H15NO3/c1-7(2,3)11-6(10)8-4-5-9/h9H,4-5H2,1-3H3,(H,8,10)
InChIKey: GPTXCAZYUMDUMN-UHFFFAOYSA-N
SMILES: C(OC(C)(C)C)(=O)NCCO
CAS Datenbank: 26690 · 26690-80-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (79.6%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 54 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (79.6%)

Sicherheitsdaten

F: 10-21
wgk: 3
ridadr: UN 2810 6.1/PG 3
hs_code: 29241990
risk_code: 25-37/38-41-36/37/38-23/24/25
hazard_code: T
safety_code: 26-39-45-36/37/39-37/39
hazard_class: IRRITANT
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3