(2-methoxy-5-methylphenyl)hydrazine hydrochloride

• ChemBase ID: 240032
• Molecular Formular: C8H13ClN2O
• Molecular Mass: 188.65462
• Monoisotopic Mass: 188.07164073
• SMILES: c1(c(ccc(c1)C)OC)NN.Cl
• Canonical SMILES: NNc1cc(C)ccc1OC.Cl
• InChI: InChI=1S/C8H12N2O.ClH/c1-6-3-4-8(11-2)7(5-6)10-9;/h3-5,10H,9H2,1-2H3;1H
• InChIKey: LNNNLIDIPZDTKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxy-5-methylphenyl)hydrazine hydrochloride
• IUPAC Traditional name: (2-methoxy-5-methylphenyl)hydrazine hydrochloride
• Synonyms: (2-methoxy-5-methylphenyl)hydrazine hydrochloride

Database IDs

• MDL Number: MFCD08272687
• PubChem SID: 164295942
• PubChem CID: 21144529

CALCULATED PROPERTIES

• Acid pKa: 19.51953
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.6267179
• LogD (pH = 7.4): 1.7193203
• Log P: 1.7206385
• Molar Refractivity: 47.2691 cm^3
• Polarizability: 17.172195 Å^3
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.867

Product Information

• Purity: 95%