2-(cycloheptylamino)acetonitrile

• ChemBase ID: 238508
• Molecular Formular: C9H16N2
• Molecular Mass: 152.23674
• Monoisotopic Mass: 152.13134852
• SMILES: N#CCNC1CCCCCC1
• Canonical SMILES: N#CCNC1CCCCCC1
• InChI: InChI=1S/C9H16N2/c10-7-8-11-9-5-3-1-2-4-6-9/h9,11H,1-6,8H2
• InChIKey: VEUMZEMXAWJULL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11643928
• PubChem SID: 164294418
• PubChem CID: 43244677

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.76341325
• LogD (pH = 7.4): 1.5569067
• Log P: 1.5868928
• Molar Refractivity: 45.3725 cm^3
• Polarizability: 17.949629 Å^3
• Polar Surface Area: 35.82 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.549

Product Information

• Purity: 95%