2-methylbutane-2,3-diamine

• ChemBase ID: 282000
• Molecular Formular: C5H14N2
• Molecular Mass: 102.17806
• Monoisotopic Mass: 102.11569846
• SMILES: C(C(N)C)(N)(C)C
• Canonical SMILES: CC(C(N)(C)C)N
• InChI: InChI=1S/C5H14N2/c1-4(6)5(2,3)7/h4H,6-7H2,1-3H3
• InChIKey: MIKNSPXOIZYKIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylbutane-2,3-diamine
• IUPAC Traditional name: 2-methylbutane-2,3-diamine
• Synonyms: 2-methylbutane-2,3-diamine

Database IDs

• MDL Number: MFCD16547818
• PubChem SID: 180667531
• PubChem CID: 14251537

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.239986
• LogD (pH = 7.4): -3.1697009
• Log P: -0.30871597
• Molar Refractivity: 31.3444 cm^3
• Polarizability: 13.012255 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.005

Product Information

• Purity: 95%