3-[(propan-2-yl)amino]propanehydrazide

• ChemBase ID: 24380
• Molecular Formular: C6H15N3O
• Molecular Mass: 145.2028
• Monoisotopic Mass: 145.12151212
• SMILES: C(=O)(CCNC(C)C)NN
• Canonical SMILES: NNC(=O)CCNC(C)C
• InChI: InChI=1S/C6H15N3O/c1-5(2)8-4-3-6(10)9-7/h5,8H,3-4,7H2,1-2H3,(H,9,10)
• InChIKey: VOQHXEDSHYSPMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(propan-2-yl)amino]propanehydrazide
• IUPAC Traditional name: 3-(isopropylamino)propanehydrazide
• Synonyms: 3-(Isopropylamino)propanohydrazide

Database IDs

• MDL Number: MFCD10687295
• PubChem SID: 160987687
• PubChem CID: 28307067

CALCULATED PROPERTIES

• Acid pKa: 13.428728
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -4.0157957
• LogD (pH = 7.4): -3.1488025
• Log P: -0.8079178
• Molar Refractivity: 40.9511 cm^3
• Polarizability: 15.947194 Å^3
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false