butanebis(imidamide)

• ChemBase ID: 277129
• Molecular Formular: C4H10N4
• Molecular Mass: 114.149
• Monoisotopic Mass: 114.09054634
• SMILES: C(=N)(N)CCC(=N)N
• Canonical SMILES: NC(=N)CCC(=N)N
• InChI: InChI=1S/C4H10N4/c5-3(6)1-2-4(7)8/h1-2H2,(H3,5,6)(H3,7,8)
• InChIKey: ZEXBMKRKNORGLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: butanebis(imidamide)
• IUPAC Traditional name: butanebis(imidamide)
• Synonyms: butanebis(imidamide)

Database IDs

• MDL Number: MFCD05663119
• PubChem SID: 164333039
• PubChem CID: 4386522

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): -6.703613
• LogD (pH = 7.4): -6.702324
• Log P: -1.8727118
• Molar Refractivity: 52.3696 cm^3
• Polarizability: 11.841826 Å^3
• Polar Surface Area: 99.74 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -2.05

Product Information

• Purity: 95%