N'-(2-methyloxan-4-yl)(tert-butoxy)carbohydrazide

• ChemBase ID: 248220
• Molecular Formular: C11H22N2O3
• Molecular Mass: 230.30398
• Monoisotopic Mass: 230.16304257
• SMILES: C(=O)(NNC1CC(OCC1)C)OC(C)(C)C
• Canonical SMILES: O=C(OC(C)(C)C)NNC1CCOC(C1)C
• InChI: InChI=1S/C11H22N2O3/c1-8-7-9(5-6-15-8)12-13-10(14)16-11(2,3)4/h8-9,12H,5-7H2,1-4H3,(H,13,14)
• InChIKey: ZHXQHAOHWHLGSX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-(2-methyloxan-4-yl)(tert-butoxy)carbohydrazide
• IUPAC Traditional name: N'-(2-methyloxan-4-yl)tert-butoxycarbohydrazide
• Synonyms: N'-(2-methyloxan-4-yl)(tert-butoxy)carbohydrazide

Database IDs

• PubChem SID: 164304130
• PubChem CID: 68366116

CALCULATED PROPERTIES

• Acid pKa: 12.833299
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.9380818
• LogD (pH = 7.4): 0.9477972
• Log P: 0.94792396
• Molar Refractivity: 71.601 cm^3
• Polarizability: 24.309193 Å^3
• Polar Surface Area: 59.59 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.17

Product Information

• Purity: 95%