4-hydrazinylphenyl 2,2-dimethylpropanoate hydrochloride

• ChemBase ID: 811089
• Molecular Formular: C11H17ClN2O2
• Molecular Mass: 244.71788
• Monoisotopic Mass: 244.09785547
• SMILES: Cl.C(=O)(C(C)(C)C)Oc1ccc(cc1)NN
• Canonical SMILES: NNc1ccc(cc1)OC(=O)C(C)(C)C.Cl
• InChI: InChI=1S/C11H16N2O2.ClH/c1-11(2,3)10(14)15-9-6-4-8(13-12)5-7-9;/h4-7,13H,12H2,1-3H3;1H
• InChIKey: JHQIADUGILCEPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydrazinylphenyl 2,2-dimethylpropanoate hydrochloride
• IUPAC Traditional name: 4-hydrazinylphenyl 2,2-dimethylpropanoate hydrochloride
• Synonyms: 2,2-DIMETHYL-PROPIONIC ACID 4-HYDRAZINO-PHENYL ESTER HYDROCHLORIDE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.568009
• LogD (pH = 7.4): 2.7684252
• Log P: 2.7716858
• Molar Refractivity: 60.5995 cm^3
• Polarizability: 22.839666 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%