tert-butyl 2-(1-methylhydrazin-1-yl)acetate

• ChemBase ID: 289932
• Molecular Formular: C7H16N2O2
• Molecular Mass: 160.21414
• Monoisotopic Mass: 160.12117776
• SMILES: O=C(OC(C)(C)C)CN(C)N
• Canonical SMILES: CN(CC(=O)OC(C)(C)C)N
• InChI: InChI=1S/C7H16N2O2/c1-7(2,3)11-6(10)5-9(4)8/h5,8H2,1-4H3
• InChIKey: GNAZZEYMVIVFQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 2-(1-methylhydrazin-1-yl)acetate
• IUPAC Traditional name: tert-butyl 2-(1-methylhydrazin-1-yl)acetate
• Synonyms: tert-Butyl 2-(1-methylhydrazinyl)acetate

Database IDs

• CAS Number: 144036-71-5
• PubChem SID: 180675463
• PubChem CID: 11805056

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.37704408
• LogD (pH = 7.4): -0.19311403
• Log P: -0.19018318
• Molar Refractivity: 43.8368 cm^3
• Polarizability: 17.252197 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%