1-aminocyclopentane-1-carbonitrile

• ChemBase ID: 233685
• Molecular Formular: C6H10N2
• Molecular Mass: 110.157
• Monoisotopic Mass: 110.08439833
• SMILES: N#CC1(N)CCCC1
• Canonical SMILES: N#CC1(N)CCCC1
• InChI: InChI=1S/C6H10N2/c7-5-6(8)3-1-2-4-6/h1-4,8H2
• InChIKey: KFPMRYNOEZCHDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-aminocyclopentane-1-carbonitrile
• IUPAC Traditional name: 1-aminocyclopentane-1-carbonitrile
• Synonyms: 1-aminocyclopentanecarbonitrile

Database IDs

• CAS Number: 49830-37-7
• MDL Number: MFCD05262933
• PubChem SID: 164289595
• PubChem CID: 2106897

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0172621
• LogD (pH = 7.4): 0.34501424
• Log P: 0.4933223
• Molar Refractivity: 31.4357 cm^3
• Polarizability: 12.41968 Å^3
• Polar Surface Area: 49.81 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.01

Product Information

• Purity: 95%