ol

• ChemBase ID: 138898
• Molecular Formular: C10H19N2O2
• Molecular Mass: 199.27006
• Monoisotopic Mass: 199.14465286
• SMILES: CC1(C(=NC(N1[O])(C)C)C(C)(C)O)C
• Canonical SMILES: [O]N1C(C)(C)N=C(C1(C)C)C(O)(C)C
• InChI: InChI=1S/C10H19N2O2/c1-8(2)7(9(3,4)13)11-10(5,6)12(8)14/h13H,1-6H3
• InChIKey: YXJJGNAHYNJTNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ol
• IUPAC Traditional name: tyrosine(.)
• Synonyms: 4-(1-Hydroxy-1-methylethyl)-2,2,5,5-tetramethyl-3-imidazolinium-1-yloxy, free radical; 4-(1-羟基-1-甲基乙基)-2,2,5,5-四甲基-3-咪唑啉-1-氧自由基

Database IDs

• CAS Number: 302911-80-4
• MDL Number: MFCD00082542
• PubChem SID: 162233149; 24861946
• PubChem CID: 16212297

CALCULATED PROPERTIES

• Acid pKa: 14.126722
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.1560415
• LogD (pH = 7.4): 1.1561874
• Log P: 1.1561893
• Molar Refractivity: 54.747 cm^3
• Polarizability: 21.496704 Å^3
• Polar Surface Area: 35.83 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 155-157 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C10H20N2O2