(oxan-4-ylmethyl)hydrazine dihydrochloride

• ChemBase ID: 276189
• Molecular Formular: C6H16Cl2N2O
• Molecular Mass: 203.11004
• Monoisotopic Mass: 202.0639685
• SMILES: O1CCC(CNN)CC1.Cl.Cl
• Canonical SMILES: NNCC1CCOCC1.Cl.Cl
• InChI: InChI=1S/C6H14N2O.2ClH/c7-8-5-6-1-3-9-4-2-6;;/h6,8H,1-5,7H2;2*1H
• InChIKey: NIEBLDGMZQPDKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (oxan-4-ylmethyl)hydrazine dihydrochloride
• IUPAC Traditional name: (oxan-4-ylmethyl)hydrazine dihydrochloride
• Synonyms: (oxan-4-ylmethyl)hydrazine dihydrochloride

Database IDs

• MDL Number: MFCD19382069
• PubChem SID: 164332099
• PubChem CID: 54594050

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.9202003
• LogD (pH = 7.4): -0.40129307
• Log P: -0.38832745
• Molar Refractivity: 48.1892 cm^3
• Polarizability: 14.598005 Å^3
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 145 - 147°C
• Hydrophobicity(logP): -0.813

Product Information

• Purity: 95%