(4-chloronaphthalen-1-yl)hydrazine hydrochloride

• ChemBase ID: 811076
• Molecular Formular: C10H10Cl2N2
• Molecular Mass: 229.1058
• Monoisotopic Mass: 228.02210369
• SMILES: Cl.NNc1c2ccccc2c(cc1)Cl
• Canonical SMILES: NNc1ccc(c2c1cccc2)Cl.Cl
• InChI: InChI=1S/C10H9ClN2.ClH/c11-9-5-6-10(13-12)8-4-2-1-3-7(8)9;/h1-6,13H,12H2;1H
• InChIKey: OYEJVFMBQSZDDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-chloronaphthalen-1-yl)hydrazine hydrochloride
• IUPAC Traditional name: (4-chloronaphthalen-1-yl)hydrazine hydrochloride
• Synonyms: (4-CHLORO-NAPHTHALEN-1-YL)-HYDRAZINE HYDROCHLORIDE

Database IDs

• CAS Number: 101851-40-5

CALCULATED PROPERTIES

• Acid pKa: 19.809822
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.6869812
• LogD (pH = 7.4): 2.9536858
• Log P: 2.9584098
• Molar Refractivity: 57.0197 cm^3
• Polarizability: 22.279163 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%