(2H6)pentanedinitrile

• ChemBase ID: 169725
• Molecular Formular: C5H6N2
• Molecular Mass: 94.11454
• Monoisotopic Mass: 94.0530982
• SMILES: C(CCC#N)C#N
• Canonical SMILES: N#CCCCC#N
• InChI: InChI=1S/C5H6N2/c6-4-2-1-3-5-7/h1-3H2
• InChIKey: ZTOMUSMDRMJOTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₆)pentanedinitrile
• IUPAC Traditional name: (^2H₆)pentanedinitrile
• Synonyms: 1,3-Dicyanopropane-d6; 1,5-Pentanedinitrile-d6; Glutaric Acid Dinitrile-d6; Glutaric Dinitrile-d6; Glutarodinitrile-d6; NSC 3807-d6; Glutaronitrile-d6

Database IDs

• PubChem SID: 162263857
• PubChem CID: 71317124

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.16198343
• LogD (pH = 7.4): 0.16198343
• Log P: 0.16198343
• Molar Refractivity: 26.0966 cm^3
• Polarizability: 9.6342945 Å^3
• Polar Surface Area: 47.58 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Ether; Methanol
• Apperance: Light Yellow Oil