4-methylpentanehydrazide

• ChemBase ID: 269027
• Molecular Formular: C6H14N2O
• Molecular Mass: 130.18816
• Monoisotopic Mass: 130.11061308
• SMILES: C(=O)(NN)CCC(C)C
• Canonical SMILES: NNC(=O)CCC(C)C
• InChI: InChI=1S/C6H14N2O/c1-5(2)3-4-6(9)8-7/h5H,3-4,7H2,1-2H3,(H,8,9)
• InChIKey: VOBMACGBVNTRGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methylpentanehydrazide
• IUPAC Traditional name: 4-methylpentanehydrazide
• Synonyms: 4-methylpentanehydrazide

Database IDs

• MDL Number: MFCD08061565
• PubChem SID: 164324937
• PubChem CID: 22994823

CALCULATED PROPERTIES

• Acid pKa: 13.510169
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.5473749
• LogD (pH = 7.4): 0.5498957
• Log P: 0.54992825
• Molar Refractivity: 37.3275 cm^3
• Polarizability: 14.41845 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.362

Product Information

• Purity: 95%