oxan-4-ylhydrazine dihydrochloride

• ChemBase ID: 268763
• Molecular Formular: C5H14Cl2N2O
• Molecular Mass: 189.08346
• Monoisotopic Mass: 188.04831844
• SMILES: O1CCC(NN)CC1.Cl.Cl
• Canonical SMILES: NNC1CCOCC1.Cl.Cl
• InChI: InChI=1S/C5H12N2O.2ClH/c6-7-5-1-3-8-4-2-5;;/h5,7H,1-4,6H2;2*1H
• InChIKey: LEQYXDJQJWQHEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oxan-4-ylhydrazine dihydrochloride
• IUPAC Traditional name: oxan-4-ylhydrazine dihydrochloride
• Synonyms: (Tetrahydro-2H-pyran-4-yl)hydrazine dihydrochloride; oxan-4-ylhydrazine dihydrochloride

Database IDs

• CAS Number: 1187974-47-5
• MDL Number: MFCD16621145
• PubChem SID: 164324673
• PubChem CID: 50988431

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.356058
• LogD (pH = 7.4): -0.8599469
• Log P: -0.8489282
• Molar Refractivity: 43.3712 cm^3
• Polarizability: 12.759184 Å^3
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.432

Product Information

• Purity: 95%; 95+%