ol

• ChemBase ID: 146685
• Molecular Formular: C12H17N2O3
• Molecular Mass: 237.27498
• Monoisotopic Mass: 237.12391741
• SMILES: CC1(CC(C(N1[O])(C)C)N1C(=O)C=CC1=O)C
• Canonical SMILES: [O]N1C(C)(C)CC(C1(C)C)N1C(=O)C=CC1=O
• InChI: InChI=1S/C12H17N2O3/c1-11(2)7-8(12(3,4)14(11)17)13-9(15)5-6-10(13)16/h5-6,8H,7H2,1-4H3
• InChIKey: HGNHBHXFYUYUIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ol
• IUPAC Traditional name: tyrosine(.)
• Synonyms: 3-Maleimido-2,2,5,5-tetramethyl-1-pyrrolidinyloxy, free radical; 3-Maleimido-PROXYL; 3-马来酰亚胺-2,2,5,5-四甲基吡咯烷-1-氧自由基; 3-马来酰亚胺基-2,2,5,5-四甲基吡咯烷

Database IDs

• CAS Number: 5389-27-5
• MDL Number: MFCD00010167
• PubChem SID: 162240877; 24855309
• PubChem CID: 165311

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.26901257
• LogD (pH = 7.4): 0.26901257
• Log P: 0.26901257
• Molar Refractivity: 62.296 cm^3
• Polarizability: 24.175339 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 111-113 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Empirical Formula (Hill Notation): C12H18N2O3

DETAILS

Sigma Aldrich - 253375

Application
Spin label used for study of local protein structure and for determining molecular changes in erythrocyte membranes.
Packaging
25 mg in glass bottle