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51200-87-4 molecular structure
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4,4-dimethyl-1,3-oxazolidine

ChemBase ID: 138489
Molecular Formular: C5H11NO
Molecular Mass: 101.14694
Monoisotopic Mass: 101.08406398
SMILES and InChIs

SMILES:
CC1(COCN1)C
Canonical SMILES:
CC1(C)NCOC1
InChI:
InChI=1S/C5H11NO/c1-5(2)3-7-4-6-5/h6H,3-4H2,1-2H3
InChIKey:
GUQMDNQYMMRJPY-UHFFFAOYSA-N

Cite this record

CBID:138489 http://www.chembase.cn/molecule-138489.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4,4-dimethyl-1,3-oxazolidine
IUPAC Traditional name
oxadine A
Synonyms
4,4-Dimethyloxazolidine solution
4,4-dimethyloxazolidine
4,4-二甲基噁唑啉 溶液
CAS Number
51200-87-4
EC Number
257-048-2
MDL Number
MFCD00154171
PubChem SID
162232744
24866179
PubChem CID
62010

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 62010 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.6385694  LogD (pH = 7.4) -1.1615624 
Log P 0.39587373  Molar Refractivity 27.6344 cm3
Polarizability 11.428371 Å3 Polar Surface Area 21.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
120 °F expand Show data source
49 °C expand Show data source
Density
0.942 g/mL at 25 °C expand Show data source
Refractive Index
n20/D 1.432 expand Show data source
RTECS
RP7211000 expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
2 expand Show data source
Risk Statements
10-20/21/22-36/37/38 expand Show data source
Safety Statements
16-26-36 expand Show data source
Purity
97% expand Show data source
98% expand Show data source
Concentration
75 wt. % in H2O expand Show data source
Empirical Formula (Hill Notation)
C5H11NO expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 417785 external link
Packaging
1 L in glass bottle
250 mL in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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