3,3'-{[(4-Hydroxybiphenyl-3-yl)methyl]imino}dipropanenitrile
Basic information
- CAS
5327-37-7- Standard SMILES
N#CCCN(CCC#N)Cc1cc(-c2ccccc2)ccc1O- InChIKey
OXQXPBFUZILTIV-UHFFFAOYSA-N- Molecular formula
- C19H19N3O
- Average molar mass
- 305.4 g/mol
- Monoisotopic mass
- 305.15281224
Names & identifiers
- Preferred name
- 3,3'-{[(4-Hydroxybiphenyl-3-yl)methyl]imino}dipropanenitrile
- IUPAC
- 3-[2-cyanoethyl-[(2-hydroxy-5-phenylphenyl)methyl]amino]propanenitrile
Names & synonyms
5327-37-73,3'-{[(4-hydroxybiphenyl-3-yl)methyl]imino}dipropanenitrileNSC3321DTXSID70277646NSC-33213,3'-{[(4-Hydroxy[1,1'-biphenyl]-3-yl)methyl]azanediyl}dipropanenitrile
Database identifiers
- CAS
5327-37-7- PubChem CID
- 220489
- DTXSID
DTXSID70277646
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 420
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Compound notes
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