2-aminocyclopentane-1-carbonitrile

• ChemBase ID: 267458
• Molecular Formular: C6H10N2
• Molecular Mass: 110.157
• Monoisotopic Mass: 110.08439833
• SMILES: N#CC1C(N)CCC1
• Canonical SMILES: N#CC1CCCC1N
• InChI: InChI=1S/C6H10N2/c7-4-5-2-1-3-6(5)8/h5-6H,1-3,8H2
• InChIKey: HERJCJRIDHRCKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-aminocyclopentane-1-carbonitrile
• IUPAC Traditional name: 2-aminocyclopentane-1-carbonitrile
• Synonyms: 2-aminocyclopentane-1-carbonitrile; 2-Aminocyclopentanecarbonitrile

Database IDs

• CAS Number: 80501-45-7
• MDL Number: MFCD09260915
• PubChem SID: 164323368
• PubChem CID: 18462039

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3504424
• LogD (pH = 7.4): -0.6720223
• Log P: 0.16584384
• Molar Refractivity: 31.3972 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): -0.178

Product Information

• Purity: 95%; 95+%