3-(propylamino)propanehydrazide

• ChemBase ID: 24395
• Molecular Formular: C6H15N3O
• Molecular Mass: 145.2028
• Monoisotopic Mass: 145.12151212
• SMILES: C(=O)(CCNCCC)NN
• Canonical SMILES: CCCNCCC(=O)NN
• InChI: InChI=1S/C6H15N3O/c1-2-4-8-5-3-6(10)9-7/h8H,2-5,7H2,1H3,(H,9,10)
• InChIKey: UUMCSACTDOPSKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(propylamino)propanehydrazide
• IUPAC Traditional name: 3-(propylamino)propanehydrazide
• Synonyms: 3-(Propylamino)propanohydrazide

Database IDs

• MDL Number: MFCD10687299
• PubChem SID: 160987702
• PubChem CID: 28307079

CALCULATED PROPERTIES

• Acid pKa: 13.428806
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -3.9146085
• LogD (pH = 7.4): -3.0970984
• Log P: -0.7019704
• Molar Refractivity: 41.0563 cm^3
• Polarizability: 15.947194 Å^3
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false