4-azidobutanenitrile

• ChemBase ID: 240467
• Molecular Formular: C4H6N4
• Molecular Mass: 110.11724
• Monoisotopic Mass: 110.05924621
• SMILES: [N+](=[N-])=NCCCC#N
• Canonical SMILES: N#CCCCN=[N+]=[N-]
• InChI: InChI=1S/C4H6N4/c5-3-1-2-4-7-8-6/h1-2,4H2
• InChIKey: SBIAREQXQLOOAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-azidobutanenitrile
• IUPAC Traditional name: 4-azidobutanenitrile
• Synonyms: 4-azidobutanenitrile

Database IDs

• MDL Number: MFCD14652226
• PubChem SID: 164296377
• PubChem CID: 3975474

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.24932782
• LogD (pH = 7.4): 0.24932782
• Log P: 0.3633735
• Molar Refractivity: 29.0721 cm^3
• Polarizability: 10.261462 Å^3
• Polar Surface Area: 53.22 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.067

Product Information

• Purity: 95%