2-methylbutane-1,2-diamine

• ChemBase ID: 265731
• Molecular Formular: C5H14N2
• Molecular Mass: 102.17806
• Monoisotopic Mass: 102.11569846
• SMILES: C(N)(CN)(CC)C
• Canonical SMILES: CCC(CN)(N)C
• InChI: InChI=1S/C5H14N2/c1-3-5(2,7)4-6/h3-4,6-7H2,1-2H3
• InChIKey: NMUURUZMXPDLAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylbutane-1,2-diamine
• IUPAC Traditional name: 2-methylbutane-1,2-diamine
• Synonyms: 2-methylbutane-1,2-diamine

Database IDs

• MDL Number: MFCD11977257
• PubChem SID: 164321641
• PubChem CID: 22666853

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.9771266
• LogD (pH = 7.4): -2.9292893
• Log P: -0.20276858
• Molar Refractivity: 31.4496 cm^3
• Polarizability: 13.012255 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.785

Product Information

• Purity: 95%