N'-[(propan-2-yloxy)carbonyl](propan-2-yloxy)carbohydrazide

• ChemBase ID: 162043
• Molecular Formular: C8H16N2O4
• Molecular Mass: 204.22364
• Monoisotopic Mass: 204.111007
• SMILES: C(OC(=O)NNC(=O)OC(C)C)(C)C
• Canonical SMILES: CC(OC(=O)NNC(=O)OC(C)C)C
• InChI: InChI=1S/C8H16N2O4/c1-5(2)13-7(11)9-10-8(12)14-6(3)4/h5-6H,1-4H3,(H,9,11)(H,10,12)
• InChIKey: FBZULTVJWVCJQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-[(propan-2-yloxy)carbonyl](propan-2-yloxy)carbohydrazide
• IUPAC Traditional name: N'-(isopropoxycarbonyl)isopropoxycarbohydrazide
• Synonyms: 1,2-Hydrazinedicarboxylic Acid 1,2-Bis(1-methylethyl) Ester; 1,2-Hydrazinedicarboxylic Acid Bis(1-methylethyl) Ester; Bis(1-methylethyl) hydrazine-1,2-dicarboxylate; Celogen HT 500; Diisopropyl 1,2-Hydrazinedicarboxylate; Diisopropyl Hydrazodicarboxylate; NSC 29147; Bicarbamic Acid Diisopropyl Ester

Database IDs

• CAS Number: 19740-72-8
• PubChem SID: 162256178
• PubChem CID: 88220

CALCULATED PROPERTIES

• Acid pKa: 10.906624
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.1656091
• LogD (pH = 7.4): 1.1655015
• Log P: 1.1656106
• Molar Refractivity: 48.9138 cm^3
• Polarizability: 19.39728 Å^3
• Polar Surface Area: 76.66 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true