1-[(2-ethoxyphenyl)methyl]-2-methylhydrazine dihydrochloride

• ChemBase ID: 101833
• Molecular Formular: C10H18Cl2N2O
• Molecular Mass: 253.16872
• Monoisotopic Mass: 252.07961857
• SMILES: c1(c(OCC)cccc1)CNNC.Cl.Cl
• Canonical SMILES: CNNCc1ccccc1OCC.Cl.Cl
• InChI: InChI=1S/C10H16N2O.2ClH/c1-3-13-10-7-5-4-6-9(10)8-12-11-2;;/h4-7,11-12H,3,8H2,1-2H3;2*1H
• InChIKey: FCKJCHXYEJXDJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(2-ethoxyphenyl)methyl]-2-methylhydrazine dihydrochloride
• IUPAC Traditional name: 1-[(2-ethoxyphenyl)methyl]-2-methylhydrazine dihydrochloride
• Synonyms: 1-(2-ethoxybenzyl)-2-methylhydrazine dihydrochloride

Database IDs

• PubChem SID: 162105356
• PubChem CID: 71300124

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.0524939
• LogD (pH = 7.4): 1.3321342
• Log P: 1.3371716
• Molar Refractivity: 75.0476 cm^3
• Polarizability: 21.2289 Å^3
• Polar Surface Area: 33.29 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%