3-Aminooxazolidin-2-on

AOZ · 3-Amino-1,3-oxazolidin-2-one · 3-Amino-2-ox · NSC 38250 · NSC 196570 · NSC 111187 · AOZ Standard · AOZ in Methanol

Identifikatoren & physikalische Daten

CAS No.	80-65-9
Summenformel	C3H6N2O2
Durchschnittliche Molmasse	102,09 g/mol
Monoisotopische Masse	102,04292743 g/mol
SMILES	NN1CCOC1=O
InChIKey	KYCJNIUHWNJNCT-UHFFFAOYSA-N
PubChem CID	65725
ChEBI	CHEBI:173320
EC No.	201-299-2
DTXSID	DTXSID00229996
Lokaler Name	3-Aminooxazolidin-2-on

XLogP	-0,8
Polarare Oberfläche (TPSA)	55,6
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	0
Schwere Atome	7
Formalladung	0
Komplexität	92,9
Schmelzpunkt	65-67 °C
Siedepunkt	135 °C(Press: 0.7 Torr)
Dichte	1.179
Lagerbedingungen	Keep in dark place,Sealed in dry,2-8°C
Löslichkeit	Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
Aggregatzustand	Solid
pKa (Säurekonstante)	3.24±0.20(Predicted)
Farbe	White to Off-White
BRN	109430
InChI	InChI=1S/C3H6N2O2/c4-5-1-2-7-3(5)6/h1-2,4H2
InChIKey	KYCJNIUHWNJNCT-UHFFFAOYSA-N
SMILES	O1CCN(N)C1=O

GHS-Einstufung	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	Regulation (EC) No 178/2002 (amended)
Hazard Classes and Categories	Skin Irrit. 2 (100%)
Wassergefährdungsklasse (WGK)	3
Zollcode	29349990
R-Sätze (R)	36/37/38
Gefahrensymbole	Xi
Sicherheitshinweise (S)	26-36/37

A metabolite of Furazolidone and Nitrofuran. Environmental contaminants; Food contaminants; Heat processing contaminants