3-(hexadecylamino)propanehydrazide

• ChemBase ID: 24379
• Molecular Formular: C19H41N3O
• Molecular Mass: 327.54834
• Monoisotopic Mass: 327.32496295
• SMILES: C(=O)(CCNCCCCCCCCCCCCCCCC)NN
• Canonical SMILES: CCCCCCCCCCCCCCCCNCCC(=O)NN
• InChI: InChI=1S/C19H41N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-21-18-16-19(23)22-20/h21H,2-18,20H2,1H3,(H,22,23)
• InChIKey: KHSXKEPDXGJZMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(hexadecylamino)propanehydrazide
• IUPAC Traditional name: 3-(hexadecylamino)propanehydrazide
• Synonyms: 3-(Hexadecylamino)propanohydrazide

Database IDs

• MDL Number: MFCD10687294
• PubChem SID: 160987686
• PubChem CID: 46736033

CALCULATED PROPERTIES

• Acid pKa: 13.261139
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 1.8633672
• LogD (pH = 7.4): 2.664861
• Log P: 5.077422
• Molar Refractivity: 100.8693 cm^3
• Polarizability: 39.90639 Å^3
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 18
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false