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123618-06-4 | Oxazolidine, 3,4-dimethyl-5-phenyl-, (4S,5R)-
CAS No: 123618-06-4 Catalog No: AG000KVL MDL No:
Product Description
Catalog Number:
AG000KVL
Chemical Name:
Oxazolidine, 3,4-dimethyl-5-phenyl-, (4S,5R)-
CAS Number:
123618-06-4
Molecular Formula:
C11H15NO
Molecular Weight:
177.2429
IUPAC Name:
3,4-dimethyl-5-phenyl-1,3-oxazolidine
InChI:
InChI=1S/C11H15NO/c1-9-11(13-8-12(9)2)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChI Key:
POZQVPIDBKNJTK-UHFFFAOYSA-N
SMILES:
C[C@@H]1N(C)CO[C@@H]1c1ccccc1
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.115g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.247g/mol
Monoisotopic Mass:
177.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Consequences of the formation of 3,4-dimethyl-5-phenyl-1,3-oxazolidine on the analysis of ephedrines in urine by gas chromatography and a new method for confirmation as N-trifluoroacetyl-O-t-butyldimethylsilyl ether derivatives. | Journal of chromatography. A 20110304 |
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