1-tert-butyl-2-phenylhydrazine hydrochloride

• ChemBase ID: 254596
• Molecular Formular: C10H17ClN2
• Molecular Mass: 200.70838
• Monoisotopic Mass: 200.10802623
• SMILES: N(Nc1ccccc1)C(C)(C)C.Cl
• Canonical SMILES: CC(NNc1ccccc1)(C)C.Cl
• InChI: InChI=1S/C10H16N2.ClH/c1-10(2,3)12-11-9-7-5-4-6-8-9;/h4-8,11-12H,1-3H3;1H
• InChIKey: ZYERQRBCSKTEAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-tert-butyl-2-phenylhydrazine hydrochloride
• IUPAC Traditional name: 1-tert-butyl-2-phenylhydrazine hydrochloride
• Synonyms: 1-tert-butyl-2-phenylhydrazine hydrochloride

Database IDs

• MDL Number: MFCD09863323
• PubChem SID: 164310506
• PubChem CID: 43810481

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.6282257
• LogD (pH = 7.4): 2.5939662
• Log P: 2.6425242
• Molar Refractivity: 63.8978 cm^3
• Polarizability: 20.29232 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 221 - 223°C
• Hydrophobicity(logP): 1.908

Product Information

• Purity: 95%