2-(cyclopropylamino)acetonitrile

• ChemBase ID: 262905
• Molecular Formular: C5H8N2
• Molecular Mass: 96.13042
• Monoisotopic Mass: 96.06874827
• SMILES: N#CCNC1CC1
• Canonical SMILES: N#CCNC1CC1
• InChI: InChI=1S/C5H8N2/c6-3-4-7-5-1-2-5/h5,7H,1-2,4H2
• InChIKey: FSDQBPDUZVGCQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(cyclopropylamino)acetonitrile
• IUPAC Traditional name: 2-(cyclopropylamino)acetonitrile
• Synonyms: 2-(cyclopropylamino)acetonitrile

Database IDs

• MDL Number: MFCD09814630
• PubChem SID: 164318815
• PubChem CID: 23510138

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.5011511
• LogD (pH = 7.4): -0.19703783
• Log P: -0.19138177
• Molar Refractivity: 26.9685 cm^3
• Polarizability: 10.578656 Å^3
• Polar Surface Area: 35.82 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.457

Product Information

• Purity: 95%