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Structure

(-)-2,2'-Isopropylidenebis[(4S)-4-phenyl-2-oxazoline], 97%

CAS
131457-46-0
Catalog Number
ACM131457460
Category
Other Products
Molecular Weight
334.419g/mol
Molecular Formula
C21H22N2O2;

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Specification

Synonyms
2,2'-isopropylidenebis[(4S)-4-phenyl-2-oxazoline]; (4S,4'S)-2,2'-(Propane-2,2-diyl)bis(4-phenyl-4,5-dihydrooxazole); (S,S)-2,2'-(Dimethylmethylene)bis(4-phenyl-2-oxazoline); (4S)-4-phenyl-2-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole; (S,S)-2,2-(DIMETHYLMETHYLENE)BIS(4-PHENYL-2-OXAZOLINE); (S,S)-2,2 inverted exclamation marka-Isopropylidenebis(4-phenyl-2-oxazoline); ZINC39428; 2,2'-Isopropylidenebis(4beta-phenyl-2-oxazoline); TC-108055; BCP26530;
IUPAC Name
(4S)-4-phenyl-2-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole;
Canonical SMILES
CC(C)(C1=NC(CO1)C2=CC=CC=C2)C3=NC(CO3)C4=CC=CC=C4;
InChI
InChI=1S/C21H22N2O2/c1-21(2,19-22-17(13-24-19)15-9-5-3-6-10-15)20-23-18(14-25-20)16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3/t17-,18-/m1/s1;
InChI Key
JTNVCJCSECAMLD-QZTJIDSGSA-N;
Storage
−20°C
Complexity
482
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
2
Exact Mass
334.168g/mol
H-Bond Acceptor
4
Heavy Atom Count
25
Monoisotopic Mass
334.168g/mol
Rotatable Bond Count
4
Topological Polar Surface Area
43.2A^2
UNII
6Q4X8PAO1T
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