2,3-dimethylbutane-1,2-diamine

• ChemBase ID: 274937
• Molecular Formular: C6H16N2
• Molecular Mass: 116.20464
• Monoisotopic Mass: 116.13134852
• SMILES: C(N)(C(C)C)(CN)C
• Canonical SMILES: NCC(C(C)C)(N)C
• InChI: InChI=1S/C6H16N2/c1-5(2)6(3,8)4-7/h5H,4,7-8H2,1-3H3
• InChIKey: CUGUEZKINWGNPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dimethylbutane-1,2-diamine
• IUPAC Traditional name: 2,3-dimethylbutane-1,2-diamine
• Synonyms: 2,3-dimethylbutane-1,2-diamine

Database IDs

• MDL Number: MFCD06213500
• PubChem SID: 164330847
• PubChem CID: 20239118

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.637274
• LogD (pH = 7.4): -2.6012526
• Log P: 0.16220424
• Molar Refractivity: 35.9212 cm^3
• Polarizability: 14.858968 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.386

Product Information

• Purity: 95%