tert-butyl 2-(aminooxy)acetate

• ChemBase ID: 289930
• Molecular Formular: C6H13NO3
• Molecular Mass: 147.17232
• Monoisotopic Mass: 147.08954328
• SMILES: O=C(OC(C)(C)C)CON
• Canonical SMILES: NOCC(=O)OC(C)(C)C
• InChI: InChI=1S/C6H13NO3/c1-6(2,3)10-5(8)4-9-7/h4,7H2,1-3H3
• InChIKey: MXJGKTHZWIGRJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 2-(aminooxy)acetate
• IUPAC Traditional name: tert-butyl 2-(aminooxy)acetate
• Synonyms: tert-Butyl 2-(aminooxy)acetate

Database IDs

• CAS Number: 56834-02-7
• PubChem SID: 180675461
• PubChem CID: 12919121

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.30911878
• LogD (pH = 7.4): 0.31522298
• Log P: 0.31530136
• Molar Refractivity: 36.9903 cm^3
• Polarizability: 14.810926 Å^3
• Polar Surface Area: 61.55 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%