tetrakis(acetonitrile); ethane-1,2-diamine

• ChemBase ID: 109390
• Molecular Formular: C10H20N6
• Molecular Mass: 224.306
• Monoisotopic Mass: 224.17494467
• SMILES: CC#N.CC#N.CC#N.CC#N.NCCN
• Canonical SMILES: NCCN.CC#N.CC#N.CC#N.CC#N
• InChI: InChI=1S/C2H8N2.4C2H3N/c3-1-2-4;4*1-2-3/h1-4H2;4*1H3
• InChIKey: JSWRBUUAZTXECF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrakis(acetonitrile); ethane-1,2-diamine
• IUPAC Traditional name: tetrakis(acetonitrile); ethylenediamine
• Synonyms: ETHYLENE DIAMINE tetra ACETONITRILE

Database IDs

• PubChem SID: 162106283
• PubChem CID: 25021658

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.91292
• LogD (pH = 7.4): -3.7797713
• Log P: -1.4224427
• Molar Refractivity: 17.8686 cm^3
• Polarizability: 7.4730473 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05210855

MP Biomedicals Rare Chemical collection