(oxolan-2-ylmethyl)hydrazine dihydrochloride

• ChemBase ID: 263309
• Molecular Formular: C5H14Cl2N2O
• Molecular Mass: 189.08346
• Monoisotopic Mass: 188.04831844
• SMILES: O1C(CNN)CCC1.Cl.Cl
• Canonical SMILES: NNCC1CCCO1.Cl.Cl
• InChI: InChI=1S/C5H12N2O.2ClH/c6-7-4-5-2-1-3-8-5;;/h5,7H,1-4,6H2;2*1H
• InChIKey: ZIEQCDXIBAHKSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (oxolan-2-ylmethyl)hydrazine dihydrochloride
• IUPAC Traditional name: (oxolan-2-ylmethyl)hydrazine dihydrochloride
• Synonyms: 1-(oxolan-2-ylmethyl)hydrazine dihydrochloride

Database IDs

• MDL Number: MFCD09999492
• PubChem SID: 164319219
• PubChem CID: 45792295

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.73371387
• LogD (pH = 7.4): -0.3980362
• Log P: -0.39152524
• Molar Refractivity: 43.1504 cm^3
• Polarizability: 12.759184 Å^3
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 113 - 115°C
• Hydrophobicity(logP): -0.393

Product Information

• Purity: 95%