3-[(3-hydroxypropyl)amino]propanehydrazide

• ChemBase ID: 24269
• Molecular Formular: C6H15N3O2
• Molecular Mass: 161.2022
• Monoisotopic Mass: 161.11642674
• SMILES: C(=O)(CCNCCCO)NN
• Canonical SMILES: OCCCNCCC(=O)NN
• InChI: InChI=1S/C6H15N3O2/c7-9-6(11)2-4-8-3-1-5-10/h8,10H,1-5,7H2,(H,9,11)
• InChIKey: MXSPUYMYCPWSAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(3-hydroxypropyl)amino]propanehydrazide
• IUPAC Traditional name: 3-[(3-hydroxypropyl)amino]propanehydrazide
• Synonyms: 3-[(3-Hydroxypropyl)amino]propanohydrazide

Database IDs

• MDL Number: MFCD10687243
• PubChem SID: 160987576
• PubChem CID: 28306945

CALCULATED PROPERTIES

• Acid pKa: 13.123156
• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): -5.3662205
• LogD (pH = 7.4): -4.1736884
• Log P: -2.211443
• Molar Refractivity: 42.9414 cm^3
• Polarizability: 16.597904 Å^3
• Polar Surface Area: 87.38 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false