1-hydrazinyl-2-methylpropan-2-ol

• ChemBase ID: 268017
• Molecular Formular: C4H12N2O
• Molecular Mass: 104.15088
• Monoisotopic Mass: 104.09496301
• SMILES: C(CNN)(O)(C)C
• Canonical SMILES: NNCC(O)(C)C
• InChI: InChI=1S/C4H12N2O/c1-4(2,7)3-6-5/h6-7H,3,5H2,1-2H3
• InChIKey: ROEAMJDERQPMKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-hydrazinyl-2-methylpropan-2-ol
• IUPAC Traditional name: 1-hydrazinyl-2-methylpropan-2-ol
• Synonyms: 1-hydrazino-2-methyl-2-propanol; 1-hydrazinyl-2-methylpropan-2-ol

Database IDs

• MDL Number: MFCD12764863
• PubChem SID: 164323927
• PubChem CID: 11094556

CALCULATED PROPERTIES

• Acid pKa: 14.984498
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -1.0771943
• LogD (pH = 7.4): -0.80770016
• Log P: -0.8030646
• Molar Refractivity: 40.245 cm^3
• Polarizability: 11.572836 Å^3
• Polar Surface Area: 58.28 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.883

Product Information

• Purity: 95%