[2-(4-methoxyphenyl)ethyl]hydrazine dihydrochloride

• ChemBase ID: 277645
• Molecular Formular: C9H16Cl2N2O
• Molecular Mass: 239.14214
• Monoisotopic Mass: 238.0639685
• SMILES: N(N)CCc1ccc(cc1)OC.Cl.Cl
• Canonical SMILES: NNCCc1ccc(cc1)OC.Cl.Cl
• InChI: InChI=1S/C9H14N2O.2ClH/c1-12-9-4-2-8(3-5-9)6-7-11-10;;/h2-5,11H,6-7,10H2,1H3;2*1H
• InChIKey: QDGQHQRAEQCRFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(4-methoxyphenyl)ethyl]hydrazine dihydrochloride
• IUPAC Traditional name: [2-(4-methoxyphenyl)ethyl]hydrazine dihydrochloride
• Synonyms: [2-(4-methoxyphenyl)ethyl]hydrazine dihydrochloride

Database IDs

• MDL Number: MFCD19982399
• PubChem SID: 164333555
• PubChem CID: 54594698

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.7197562
• LogD (pH = 7.4): 1.0392828
• Log P: 1.0453488
• Molar Refractivity: 60.7265 cm^3
• Polarizability: 19.307613 Å^3
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 109 - 111°C
• Hydrophobicity(logP): 0.952

Product Information

• Purity: 95%