tert-Butyl-N-hydroxycarbamat

tert-Butyl hydroxycarbamate · nhboc · N-BOC-HYDROXYLAMINE · BOC-NH-OH · N-hydroxycarbamate · BocNOH · BOC-HNOH · N-Boc-hydroxyL

Identifikatoren & physikalische Daten

CAS No.	36016-38-3
Summenformel	C5H11NO3
Durchschnittliche Molmasse	133,15 g/mol
Monoisotopische Masse	133,07389321 g/mol
SMILES	CC(C)(C)OC(=O)NO
InChIKey	DRDVJQOGFWAVLH-UHFFFAOYSA-N
PubChem CID	97534
ChEMBL	CHEMBL1916775
EC No.	252-836-2
DTXSID	DTXSID60189587
Lokaler Name	tert-Butyl-N-hydroxycarbamat

XLogP	0,4
Polarare Oberfläche (TPSA)	58,6
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	2
Schwere Atome	9
Formalladung	0
Komplexität	105
Schmelzpunkt	53-55 °C (lit.)
Siedepunkt	245.66°C (rough estimate)
Dichte	1.2510 (rough estimate)
Brechungsindex	1.4120 (estimate)
Lagerbedingungen	2-8°C
Löslichkeit	Chloroform, MethanolSlightly soluble in water.
pKa (Säurekonstante)	9.31±0.23(Predicted)
Aggregatzustand	Crystalline Powder
Farbe	White to light pink
BRN	1756546
InChI	InChI=1S/C5H11NO3/c1-5(2,3)9-4(7)6-8/h8H,1-3H3,(H,6,7)
InChIKey	DRDVJQOGFWAVLH-UHFFFAOYSA-N
SMILES	C(OC(C)(C)C)(=O)NO
CAS Datenbank	36016-38-3(CAS DataBase Reference)

GHS-Einstufung	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (100%)
F	21
Wassergefährdungsklasse (WGK)	3
Zollcode	29280090
Sicherheitshinweise (S)	22-24/25
Lagerklasse	11 - Combustible Solids

tert-Butyl N-hydroxycarbamate is used in the preparation of azridines by cycloaddition of azides with nitroso Diels-Alder adducts.