ethene-1,1,2,2-tetramine

• ChemBase ID: 129767
• Molecular Formular: C2H8N4
• Molecular Mass: 88.11172
• Monoisotopic Mass: 88.07489628
• SMILES: NC(=C(N)N)N
• Canonical SMILES: NC(=C(N)N)N
• InChI: InChI=1S/C2H8N4/c3-1(4)2(5)6/h3-6H2
• InChIKey: XXWSZMQKQLNDLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethene-1,1,2,2-tetramine
• IUPAC Systematic name: Ethene-1,1,2,2-tetramine
• IUPAC Traditional name: tetraaminoethylene
• Synonyms: Ethylenetetraamine; Tetraaminoethylene

Database IDs

• CAS Number: 4363-45-5
• PubChem SID: 162224056
• PubChem CID: 17899866
• Chemspider ID: 11487764
• Wikipedia Title: Tetraaminoethylene

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): -2.151496
• LogD (pH = 7.4): -2.067756
• Log P: -2.0665765
• Molar Refractivity: 43.1182 cm^3
• Polarizability: 8.751792 Å^3
• Polar Surface Area: 104.08 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true