3-Amino-2-oxazolidinone

HCID 65725CAS 80-65-9

Substructure search Find similar structures

Basic information

Standard SMILES: NN1CCOC1=O
InChIKey: KYCJNIUHWNJNCT-UHFFFAOYSA-N
Molecular formula: C3H6N2O2
Average molar mass: 102.09 g/mol
Monoisotopic mass: 102.04292743

Overview

3-Amino-2-oxazolidone is an oxazolidinone.

Names & identifiers

Preferred name: 3-Amino-2-oxazolidinone
IUPAC: 3-amino-1,3-oxazolidin-2-one
English name: 3-Amino-2-oxazolidinone
Molecular formula: C3H6N2O2
Molecular weight: 102.09

Names & synonyms

3-Amino-2-oxazolidinone80-65-93-Amino-2-oxazolidoneVJ7HE86A15NSC-38250NSC-111187NSC-196570DTXSID00229996RefChem:497068DTXCID50152487201-299-23-Aminooxazolidin-2-one

Show more names

3-Amino-2-oxNSC 38250NSC 196570AOZ StandardAOZ in MethanolAOZ Solution, 100ppm3-AMINO-OXAZOLIDINONE

3-Amino-1,3-oxazolidin-2-one2-Oxazolidinone, 3-amino-AOZMFCD00020871NSC382503-Amino-2-oxazolidinone (AOZ)3-Amino-2-oxazolidinone AOZNSC 111187

Database identifiers

CAS: 80-65-9
PubChem CID: 65725
DTXSID: DTXSID00229996
ChEBI: CHEBI:173320
UNII: VJ7HE86A15
EC Number: 201-299-2
Nikkaji: J38.362G

Properties

Computed structural properties

XLogP: -0.8
Topological polar surface area: 55.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 7
Formal charge: 0
Complexity: 92.9

Physicochemical properties

Melting point: 65 · 65-67 °C
Boiling point: 135 °C · 135 °C(Press: 0.7 Torr)
Density: 1.179 · 1.179
storage temp.: 2 · Keep in dark place,Sealed in dry,2-8°C
solubility: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
form: Solid
pka: 3.24 · 3.24±0.20(Predicted)
color: White to Off-White
BRN: 109430 · 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
FDA UNII: 7 HE86A15 · VJ7HE86A15
UNSPSC Code: 41116107 · 41116107
NACRES: 24 · NA.24
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37
WGK Germany: 3 · 3
HS Code: 29349990 · 29349990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (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.