(1R,2S)-2-aminocyclopentane-1-carbonitrile

• ChemBase ID: 282391
• Molecular Formular: C6H10N2
• Molecular Mass: 110.157
• Monoisotopic Mass: 110.08439833
• SMILES: N#C[C@H]1[C@@H](N)CCC1
• Canonical SMILES: N#C[C@@H]1CCC[C@@H]1N
• InChI: InChI=1S/C6H10N2/c7-4-5-2-1-3-6(5)8/h5-6H,1-3,8H2/t5-,6-/m0/s1
• InChIKey: HERJCJRIDHRCKG-WDSKDSINSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,2S)-2-aminocyclopentane-1-carbonitrile
• IUPAC Traditional name: (1R,2S)-2-aminocyclopentane-1-carbonitrile
• Synonyms: cis-2-aminocyclopentane-1-carbonitrile

Database IDs

• MDL Number: MFCD17977245
• PubChem SID: 180667922
• PubChem CID: 50989537

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%