2-(ethylamino)acetonitrile

• ChemBase ID: 261840
• Molecular Formular: C4H8N2
• Molecular Mass: 84.11972
• Monoisotopic Mass: 84.06874827
• SMILES: N#CCNCC
• Canonical SMILES: CCNCC#N
• InChI: InChI=1S/C4H8N2/c1-2-6-4-3-5/h6H,2,4H2,1H3
• InChIKey: VXAOLDZFARINGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00137985
• PubChem SID: 164317750
• PubChem CID: 90498

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.80440295
• LogD (pH = 7.4): -0.311983
• Log P: -0.30013835
• Molar Refractivity: 24.5059 cm^3
• Polarizability: 9.464999 Å^3
• Polar Surface Area: 35.82 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.512

Product Information

• Purity: 95%