3-(dipropylamino)propanehydrazide

• ChemBase ID: 24384
• Molecular Formular: C9H21N3O
• Molecular Mass: 187.28254
• Monoisotopic Mass: 187.16846231
• SMILES: C(=O)(CCN(CCC)CCC)NN
• Canonical SMILES: CCCN(CCC)CCC(=O)NN
• InChI: InChI=1S/C9H21N3O/c1-3-6-12(7-4-2)8-5-9(13)11-10/h3-8,10H2,1-2H3,(H,11,13)
• InChIKey: TWCAQEDIEJTCQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(dipropylamino)propanehydrazide
• IUPAC Traditional name: 3-(dipropylamino)propanehydrazide
• Synonyms: 3-(Dipropylamino)propanohydrazide

Database IDs

• MDL Number: MFCD10687297
• PubChem SID: 160987691
• PubChem CID: 28307071

CALCULATED PROPERTIES

• Acid pKa: 13.541383
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.918821
• LogD (pH = 7.4): -2.1901746
• Log P: 0.5604079
• Molar Refractivity: 55.6236 cm^3
• Polarizability: 21.466948 Å^3
• Polar Surface Area: 58.36 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false