1-aminocyclobutane-1-carbonitrile

• ChemBase ID: 255023
• Molecular Formular: C5H8N2
• Molecular Mass: 96.13042
• Monoisotopic Mass: 96.06874827
• SMILES: N#CC1(N)CCC1
• Canonical SMILES: N#CC1(N)CCC1
• InChI: InChI=1S/C5H8N2/c6-4-5(7)2-1-3-5/h1-3,7H2
• InChIKey: GVUPCWCOWHNOHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-aminocyclobutane-1-carbonitrile
• IUPAC Traditional name: 1-aminocyclobutane-1-carbonitrile
• Synonyms: 1-aminocyclobutanecarbonitrile

Database IDs

• MDL Number: MFCD09040659
• PubChem SID: 164310933
• PubChem CID: 11286483

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2349441
• LogD (pH = 7.4): -0.042292643
• Log P: 0.04875366
• Molar Refractivity: 26.8347 cm^3
• Polarizability: 10.578656 Å^3
• Polar Surface Area: 49.81 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.569

Product Information

• Purity: 95%