2-(4-hydrazinylphenyl)acetic acid hydrochloride

• ChemBase ID: 37560
• Molecular Formular: C8H11ClN2O2
• Molecular Mass: 202.63814
• Monoisotopic Mass: 202.05090528
• SMILES: c1cc(ccc1NN)CC(=O)O.Cl
• Canonical SMILES: NNc1ccc(cc1)CC(=O)O.Cl
• InChI: InChI=1S/C8H10N2O2.ClH/c9-10-7-3-1-6(2-4-7)5-8(11)12;/h1-4,10H,5,9H2,(H,11,12);1H
• InChIKey: QBSIFZWYKGBSFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-hydrazinylphenyl)acetic acid hydrochloride
• IUPAC Traditional name: (4-hydrazinylphenyl)acetic acid hydrochloride
• Synonyms: (4-Hydrazinophenyl)acetic acid hydrochloride

Database IDs

• CAS Number: 65476-32-6
• MDL Number: MFCD12028212
• PubChem SID: 161000867
• PubChem CID: 15618594

CALCULATED PROPERTIES

• Acid pKa: 4.195437
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.48847887
• LogD (pH = 7.4): -1.9954882
• Log P: -0.30912957
• Molar Refractivity: 47.0723 cm^3
• Polarizability: 17.09582 Å^3
• Polar Surface Area: 75.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false