hexane-1,2-diamine

• ChemBase ID: 237512
• Molecular Formular: C6H16N2
• Molecular Mass: 116.20464
• Monoisotopic Mass: 116.13134852
• SMILES: NC(CN)CCCC
• Canonical SMILES: CCCCC(CN)N
• InChI: InChI=1S/C6H16N2/c1-2-3-4-6(8)5-7/h6H,2-5,7-8H2,1H3
• InChIKey: JVQUBHIPPUVHCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12797012
• PubChem SID: 164293422
• PubChem CID: 10362464

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.2518325
• LogD (pH = 7.4): -2.1329882
• Log P: 0.4057921
• Molar Refractivity: 36.0134 cm^3
• Polarizability: 14.858968 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.126

Product Information

• Purity: 95%