tert-Butyl hydroxy(methyl)carbamate

HCID 272414CAS 19689-97-5

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Grundinformationen

Standard-SMILES: CN(O)C(=O)OC(C)(C)C
InChIKey: BFTVWTYYQWTLQL-UHFFFAOYSA-N
Summenformel: C6H13NO3
Durchschnittliche Molmasse: 147,17 g/mol
Monoisotopische Masse: 147,08954328

Namen und Bezeichner

Bevorzugter Name: tert-Butyl hydroxy(methyl)carbamate
IUPAC: tert-butyl N-hydroxy-N-methylcarbamate
Englischer Name: tert-butyl hydroxy(methyl)carbamate
Summenformel: C6H13NO3
Molmasse: 147.17

Namen und Synonyme

tert-butyl hydroxy(methyl)carbamateDTXSID20297596RefChem:894667DTXCID50248733860-166-219689-97-5tert-butyl N-hydroxy-N-methylcarbamateMFCD24465554N-Boc-N-methylhydroxylamineCarbamic acid, N-hydroxy-N-methyl-,1,1-dimethylethyl esterTERT-BUTYL N-HYDROXY-N-METHYL-CARBAMATENSC116783

Weitere Namen anzeigen

tert-?Butyl N-?hydroxy-?N-?methylcarbamate

N-(tert-butoxycarbonyl)-N-methylhydroxylamineN-methyl-N-boc hydroxylamineSCHEMBL28394N-Boc-N-methyl hydroxylaminetert-butylhydroxy(methyl)carbamateBFTVWTYYQWTLQL-UHFFFAOYSA-NUAA68997AKOS030614432

Datenbank-Bezeichner

CAS: 19689-97-5
PubChem CID: 272414
DTXSID: DTXSID20297596
EC Number: 860-166-2
Nikkaji: J2.259.665I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,6
Polarare Oberfläche (TPSA): 49,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 10
Formalladung: 0
Komplexität: 127

Physikochemische Eigenschaften

Siedepunkt: 60 · 60-65 °C(Press: 3 Torr)
Dichte: 1.083 · 1.083±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 9.04 · 9.04±0.50(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 2 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.