3-amino-2,2,5,5-tetramethylpyrrolidin-1-ol

• ChemBase ID: 178453
• Molecular Formular: C8H18N2O
• Molecular Mass: 158.24132
• Monoisotopic Mass: 158.14191321
• SMILES: C1C(N(C(C1N)(C)C)O)(C)C
• Canonical SMILES: NC1CC(N(C1(C)C)O)(C)C
• InChI: InChI=1S/C8H18N2O/c1-7(2)5-6(9)8(3,4)10(7)11/h6,11H,5,9H2,1-4H3
• InChIKey: USGBLEMQARVRDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-2,2,5,5-tetramethylpyrrolidin-1-ol
• IUPAC Traditional name: 3-amino-2,2,5,5-tetramethylpyrrolidin-1-ol
• Synonyms: 3-Amino-2,2,5,5-tetramethyl-1-pyrrolidinyloxy; 2,2,5,5-Tetramethyl-3-aminopyrrolidin-1-oxy; 3-Amino-2,2,5,5-tetramethylpyrrolidine Nitroxide; 5-Tempamine; 2,2,5,5-Tetramethyl-3-amino-pyrrolidine-1-oxyl Free Radical

Database IDs

• CAS Number: 34272-83-8
• PubChem SID: 164234363
• PubChem CID: 558590

CALCULATED PROPERTIES

• Acid pKa: 14.73256
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.9949572
• LogD (pH = 7.4): -1.9109956
• Log P: -0.029204786
• Molar Refractivity: 45.0884 cm^3
• Polarizability: 18.407972 Å^3
• Polar Surface Area: 49.49 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Methanol
• Apperance: Yellow Orange Low Melting Solid

Safety Information

• Storage Condition: Amber Vial, -20°C Freezer, Under Inert Atmosphere

DETAILS

Toronto Research Chemicals - T300125

A highly reactive spin-label compound.