(4R,4'R)-2,2'-(1-Phenylpropane-2,2-diyl)bis(4-benzyl-4,5-dihydrooxazole)
Basic information
- CAS
2634687-70-8- Standard SMILES
CC(Cc1ccccc1)(C1=N[C@H](Cc2ccccc2)CO1)C1=N[C@H](Cc2ccccc2)CO1- InChIKey
BKDFXLZJORKSHN-CLJLJLNGSA-N- Molecular formula
- C29H30N2O2
- Average molar mass
- 438.6 g/mol
Names & identifiers
- Preferred name
- (4R,4'R)-2,2'-(1-Phenylpropane-2,2-diyl)bis(4-benzyl-4,5-dihydrooxazole)
- IUPAC
- (4R)-4-benzyl-2-[2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-1-phenylpropan-2-yl]-4,5-dihydro-1,3-oxazole
- English name
- Oxazole, 2,2'-(1-methyl-2-phenylethylidene)bis[4,5-dihydro-4-(phenylmethyl)-, (4R,4'R)-
- Molecular formula
- C29H30N2O2
- Molecular weight
- 438.56
Names & synonyms
(4R,4'R)-2,2'-(1-Phenylpropane-2,2-diyl)bis(4-benzyl-4,5-dihydrooxazole)2634687-70-8(R,R)-2-Bn-Sabox-BnBS-46606CS-0145299E75135F823620Oxazole, 2,2'-(1-methyl-2-phenylethylidene)bis[4,5-dihydro-4-(phenylmethyl)-, (4R,4'R)-(4R)-4-benzyl-2-[1-[(4R)-4-benzyl-4,5-dihydrooxazol-2-yl]-1-methyl-2-phenyl-ethyl]-4,5-dihydrooxazole(4R)-4-benzyl-2-[2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-1-phenylpropan-2-yl]-4,5-dihydro-1,3-oxazole
Database identifiers
- CAS
2634687-70-8
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 43.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 638
Physicochemical properties
- Boiling point
- 580.5 · 580.5±50.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Storage temp. -20°C
- pka
- 5.56 · 5.56±0.70(Predicted)
- Appearance
- Colorless to light yellow Oil
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
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Compound notes
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