3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanehydrazide

• ChemBase ID: 34769
• Molecular Formular: C17H28N2O2
• Molecular Mass: 292.41642
• Monoisotopic Mass: 292.21507815
• SMILES: c1(c(C(C)(C)C)cc(cc1C(C)(C)C)CCC(=O)NN)O
• Canonical SMILES: NNC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
• InChI: InChI=1S/C17H28N2O2/c1-16(2,3)12-9-11(7-8-14(20)19-18)10-13(15(12)21)17(4,5)6/h9-10,21H,7-8,18H2,1-6H3,(H,19,20)
• InChIKey: KMWIPXLIKIAZMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanehydrazide
• IUPAC Traditional name: 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanehydrazide
• Synonyms: 3-[3,5-Di(tert-butyl)-4-hydroxyphenyl] propanohydrazide; 3-[3,5-di(tert-butyl)-4-hydroxyphenyl]propanohydrazide

Database IDs

• CAS Number: 32687-77-7
• MDL Number: MFCD00411252
• PubChem SID: 160998076
• PubChem CID: 64865

CALCULATED PROPERTIES

• Acid pKa: 10.75242
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 3.736139
• LogD (pH = 7.4): 3.7384677
• Log P: 3.7386916
• Molar Refractivity: 87.5856 cm^3
• Polarizability: 33.666595 Å^3
• Polar Surface Area: 75.35 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 147 - 150 °C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%