5-aminopentanenitrile

• ChemBase ID: 270463
• Molecular Formular: C5H10N2
• Molecular Mass: 98.1463
• Monoisotopic Mass: 98.08439833
• SMILES: N#CCCCCN
• Canonical SMILES: NCCCCC#N
• InChI: InChI=1S/C5H10N2/c6-4-2-1-3-5-7/h1-4,6H2
• InChIKey: JJUPHRIAFLAURY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-aminopentanenitrile
• IUPAC Traditional name: 5-aminopentanenitrile
• Synonyms: 5-aminopentanenitrile

Database IDs

• MDL Number: MFCD14684132
• PubChem SID: 164326373
• PubChem CID: 13512620

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1432507
• LogD (pH = 7.4): -2.7228477
• Log P: -0.119284086
• Molar Refractivity: 29.0381 cm^3
• Polarizability: 11.307113 Å^3
• Polar Surface Area: 49.81 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.694

Product Information

• Purity: 95%