4-amino-2,2,6,6-tetramethylpiperidin-1-ol

• ChemBase ID: 103727
• Molecular Formular: C9H20N2O
• Molecular Mass: 172.2679
• Monoisotopic Mass: 172.15756327
• SMILES: CC1(C)CC(N)CC(C)(C)N1O
• Canonical SMILES: NC1CC(C)(C)N(C(C1)(C)C)O
• InChI: InChI=1S/C9H20N2O/c1-8(2)5-7(10)6-9(3,4)11(8)12/h7,12H,5-6,10H2,1-4H3
• InChIKey: AYSOUYKQIUYGFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-2,2,6,6-tetramethylpiperidin-1-ol
• IUPAC Traditional name: 4-amino-2,2,6,6-tetramethylpiperidin-1-ol
• Synonyms: 4-Amino-TEMPO; 4-Aminotempo; 6-Tempamine; Tempamine; Tempo-amine; 4-Amino-2,2,6,6-tetramethylpiperidinyloxy; 4-Amino-2,2,6,6-tetramethylpiperidine-1-oxyl; 4-Amino-2,2,6,6-tetramethylpiperidinyloxy; 4-AMINO-TEMPO

Database IDs

• CAS Number: 14691-88-4
• EC Number: 238-738-2
• PubChem SID: 162103273
• PubChem CID: 84597

CALCULATED PROPERTIES

• Acid pKa: 14.741987
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.989463
• LogD (pH = 7.4): -2.463839
• Log P: 0.030754952
• Molar Refractivity: 49.9538 cm^3
• Polarizability: 20.25109 Å^3
• Polar Surface Area: 49.49 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Methanol
• Apperance: Red-Brown Semi Solid

Safety Information

• Storage Condition: 0°C; -20°C Freezer

DETAILS

Toronto Research Chemicals - A630260

Useful spin label for studying biological systems and polymers.

REFERENCES

• Biochemistry, 33, 3855 (1994)
• J. Colloid Interface Sci., 165, 236 (1994)