[4-(propan-2-yloxy)phenyl]hydrazine hydrochloride

• ChemBase ID: 811078
• Molecular Formular: C9H15ClN2O
• Molecular Mass: 202.6812
• Monoisotopic Mass: 202.08729079
• SMILES: Cl.NNc1ccc(cc1)OC(C)C
• Canonical SMILES: NNc1ccc(cc1)OC(C)C.Cl
• InChI: InChI=1S/C9H14N2O.ClH/c1-7(2)12-9-5-3-8(11-10)4-6-9;/h3-7,11H,10H2,1-2H3;1H
• InChIKey: JGKJCMSHDQWJAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(propan-2-yloxy)phenyl]hydrazine hydrochloride
• IUPAC Traditional name: (4-isopropoxyphenyl)hydrazine hydrochloride
• Synonyms: (4-ISOPROPOXY-PHENYL)-HYDRAZINE HYDROCHLORIDE

Database IDs

• CAS Number: 104033-62-7

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.758892
• LogD (pH = 7.4): 1.9769716
• Log P: 1.9806001
• Molar Refractivity: 51.3953 cm^3
• Polarizability: 19.091518 Å^3
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%