ol

• ChemBase ID: 148980
• Molecular Formular: C9H15N2O
• Molecular Mass: 167.2282
• Monoisotopic Mass: 167.11843811
• SMILES: CC1(CC(C(N1[O])(C)C)C#N)C
• Canonical SMILES: [O]N1C(C)(C)CC(C1(C)C)C#N
• InChI: InChI=1S/C9H15N2O/c1-8(2)5-7(6-10)9(3,4)11(8)12/h7H,5H2,1-4H3
• InChIKey: RQRRZZIMMXPAGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ol
• IUPAC Traditional name: tyrosine(.)
• Synonyms: 3-Cyano-2,2,5,5-tetramethyl-1-pyrrolidinyloxy, free radical; 3-Cyano-PROXYL; 3-氰基-2,2,5,5-四甲基-1-吡咯烷基氧，自由基; 3-氰基-PROXYL

Database IDs

• CAS Number: 2154-70-3
• MDL Number: MFCD00010548
• PubChem SID: 162243150; 24855418
• PubChem CID: 150974

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.7469608
• LogD (pH = 7.4): 0.7469608
• Log P: 0.7469608
• Molar Refractivity: 46.0565 cm^3
• Polarizability: 18.144197 Å^3
• Polar Surface Area: 27.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 31-33 °C(lit.)
• Flash Point: 113 °C; 235.4 °F

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22
• Safety Statements: 36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H332
• GHS Precautionary statements: P280
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Grade: for ESR-spectroscopy
• Empirical Formula (Hill Notation): C9H15N2O

DETAILS

Sigma Aldrich - 257494

General description
Spin label
Packaging
10, 25 mg in glass bottle