pentane-1,2-diamine

• ChemBase ID: 263114
• Molecular Formular: C5H14N2
• Molecular Mass: 102.17806
• Monoisotopic Mass: 102.11569846
• SMILES: NC(CN)CCC
• Canonical SMILES: CCCC(CN)N
• InChI: InChI=1S/C5H14N2/c1-2-3-5(7)4-6/h5H,2-4,6-7H2,1H3
• InChIKey: LPGZAWSMGCIBOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12190269
• PubChem SID: 164319024
• PubChem CID: 14637946

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.696515
• LogD (pH = 7.4): -2.5777485
• Log P: -0.038776588
• Molar Refractivity: 31.4124 cm^3
• Polarizability: 13.012255 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.655

Product Information

• Purity: 95%