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5567-67-9 molecular structure
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3-amino-1,3-oxazolidin-2-one hydrochloride

ChemBase ID: 77135
Molecular Formular: C3H7ClN2O2
Molecular Mass: 138.55288
Monoisotopic Mass: 138.01960515
SMILES and InChIs

SMILES:
O1CCN(C1=O)N.Cl
Canonical SMILES:
O=C1OCCN1N.Cl
InChI:
InChI=1S/C3H6N2O2.ClH/c4-5-1-2-7-3(5)6;/h1-2,4H2;1H
InChIKey:
NZPARMKLAMASCC-UHFFFAOYSA-N

Cite this record

CBID:77135 http://www.chembase.cn/molecule-77135.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-amino-1,3-oxazolidin-2-one hydrochloride
IUPAC Traditional name
3-amino-1,3-oxazolidin-2-one hydrochloride
Synonyms
3-Amino-2-oxazolidinone hydrochloride
3-Amino-2-oxazolidone hydrochloride>95%
CAS Number
5567-67-9
MDL Number
MFCD04038842
PubChem SID
162042009
PubChem CID
12228385

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 12228385 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.6576617  LogD (pH = 7.4) -0.6553513 
Log P -0.6553218  Molar Refractivity 23.5013 cm3
Polarizability 8.972743 Å3 Polar Surface Area 55.56 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
ca 131°C dec. expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37-60 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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