(R)-2,3-Bis(4-hydroxyphenyl)-propionitrile
Basic information
- CAS
524047-78-7- Standard SMILES
N#C[C@H](Cc1ccc(O)cc1)c1ccc(O)cc1- InChIKey
GHZHWDWADLAOIQ-ZDUSSCGKSA-N- Molecular formula
- C15H13NO2
- Average molar mass
- 239.27 g/mol
- Monoisotopic mass
- 239.09462866
Names & identifiers
- Preferred name
- (R)-2,3-Bis(4-hydroxyphenyl)-propionitrile
- IUPAC
- (2R)-2,3-bis(4-hydroxyphenyl)propanenitrile
- English name
- (R)-DPN
- Molecular formula
- C15H13NO2
- Molecular weight
- 239.27
Names & synonyms
(R)-Dpn524047-78-7(R)-2,3-Bis(4-hydroxyphenyl)-propionitrile(2R)-2,3-bis(4-hydroxyphenyl)propanenitrileDi-p-hydroxyphenylpropionitrile, (R)-BG5CYS8SFDCHEMBL198159UNII-BG5CYS8SFDTocris-1494orb1704171SCHEMBL30615176(R)-di-p-hydroxyphenylpropionitrile
Show more names
(R)DPN,(R) DPNBenzenepropanenitrile, 4-hydroxy-α-(4-hydroxyphenyl)-, (αR)-
BDBM50364076Benzenepropanenitrile, 4-hydroxy-alpha-(4-hydroxyphenyl)-, (alphaR)-AKOS024458189NCGC00025185-01DA-69200MS-33136HY-103453(R)-2,3-Bis(4-hydroxyphenyl)propanenitrile
Database identifiers
- CAS
524047-78-7- PubChem CID
- 6604873
- ChEMBL
CHEMBL198159- UNII
- BG5CYS8SFD
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 293
Physicochemical properties
- Boiling point
- 449.4 · 449.4±35.0 °C(Predicted)
- Density
- 1.256 · 1.256±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 23.93 mg/ml · <23.93mg/ml in DMSO; <5.98mg/ml in 1eq. NaOH; <23.93mg/ml in ethanol
- pka
- 9.41 · 9.41±0.26(Predicted)
- FDA UNII
- 5 CYS8SFD · BG5CYS8SFD
Chemistry & industry
Applications
Uses(R)-DPN (cas# 524047-78-7) is a useful research chemical.(R)-DPN has estrogen receptor-β agonist effect on anxiety-related behaviours
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…