ol

• ChemBase ID: 137523
• Molecular Formular: C10H18BrN2O2
• Molecular Mass: 278.16612
• Monoisotopic Mass: 277.05516483
• SMILES: CC1(CC(C(N1[O])(C)C)NC(=O)CBr)C
• Canonical SMILES: BrCC(=O)NC1CC(N(C1(C)C)[O])(C)C
• InChI: InChI=1S/C10H18BrN2O2/c1-9(2)5-7(12-8(14)6-11)10(3,4)13(9)15/h7H,5-6H2,1-4H3,(H,12,14)
• InChIKey: XATKYCISCLMYBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ol
• IUPAC Traditional name: tyrosine(.)
• Synonyms: 3-(2-Bromoacetamido)-2,2,5,5-tetramethyl-1-pyrrolidinyloxy, free radical; 3-(2-Bromoacetamido)-PROXYL; 3-(2-溴乙酰胺)-2,2,5,5-四甲基吡咯烷-1-氧自由基; 3-(2-溴乙酰胺)-PROXYL

Database IDs

• CAS Number: 17932-40-0
• MDL Number: MFCD00010160
• PubChem SID: 162231785
• PubChem CID: 167681

CALCULATED PROPERTIES

• Acid pKa: 13.182207
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.59746623
• LogD (pH = 7.4): 0.5974656
• Log P: 0.59746623
• Molar Refractivity: 61.1472 cm^3
• Polarizability: 24.167717 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3

Product Information

• Empirical Formula (Hill Notation): C10H19BrN2O2

DETAILS

Sigma Aldrich - 253235

Features and Benefits
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