2-(propan-2-yloxy)propanehydrazide hydrochloride

• ChemBase ID: 21504
• Molecular Formular: C6H15ClN2O2
• Molecular Mass: 182.6485
• Monoisotopic Mass: 182.08220541
• SMILES: C(=O)(C(OC(C)C)C)NN.Cl
• Canonical SMILES: NNC(=O)C(OC(C)C)C.Cl
• InChI: InChI=1S/C6H14N2O2.ClH/c1-4(2)10-5(3)6(9)8-7;/h4-5H,7H2,1-3H3,(H,8,9);1H
• InChIKey: BEXYQLBEDKOJMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(propan-2-yloxy)propanehydrazide hydrochloride
• IUPAC Traditional name: 2-isopropoxypropanehydrazide hydrochloride
• Synonyms: 2-Isopropoxypropanohydrazide hydrochloride

Database IDs

• MDL Number: MFCD08559348
• PubChem SID: 160984811
• PubChem CID: 16641300

CALCULATED PROPERTIES

• Acid pKa: 12.746152
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.16095588
• LogD (pH = 7.4): -0.15876818
• Log P: -0.15873834
• Molar Refractivity: 39.0647 cm^3
• Polarizability: 15.138 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false