3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N'-[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl]propanehydrazide

• ChemBase ID: 288429
• Molecular Formular: C34H52N2O4
• Molecular Mass: 552.78768
• Monoisotopic Mass: 552.39270815
• SMILES: O=C(NNC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
• Canonical SMILES: O=C(NNC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
• InChI: InChI=1S/C34H52N2O4/c1-31(2,3)23-17-21(18-24(29(23)39)32(4,5)6)13-15-27(37)35-36-28(38)16-14-22-19-25(33(7,8)9)30(40)26(20-22)34(10,11)12/h17-20,39-40H,13-16H2,1-12H3,(H,35,37)(H,36,38)
• InChIKey: HCILJBJJZALOAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N'-[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl]propanehydrazide
• IUPAC Traditional name: 3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N'-[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl]propanehydrazide
• Synonyms: Antioxidant 1024

Database IDs

• CAS Number: 32687-78-8
• MDL Number: MFCD00072662
• PubChem SID: 180673960
• PubChem CID: 61916

CALCULATED PROPERTIES

• Acid pKa: 10.304523
• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): 8.511168
• LogD (pH = 7.4): 8.510653
• Log P: 8.511173
• Molar Refractivity: 164.603 cm^3
• Polarizability: 63.752106 Å^3
• Polar Surface Area: 98.66 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%