Basic information
- CAS
3376-24-7- Standard SMILES
CC(C)(C)[N+]([O-])=Cc1ccccc1- InChIKey
IYSYLWYGCWTJSG-UHFFFAOYSA-N- Molecular formula
- C11H15NO
- Average molar mass
- 177.24 g/mol
Overview
See also: N-tert-Butyl-alpha-phenylnitrone (annotation moved to).
Names & identifiers
- Preferred name
- N-tert-Butyl-a-phenylnitrone
- IUPAC
- N-tert-butyl-1-phenylmethanimine oxide
- English name
- N-TERT-BUTYL-ALPHA-PHENYLNITRONE
- Molecular formula
- C11H15NO
- Molecular weight
- 177.24
Names & synonyms
Show more names
Database identifiers
- CAS
3376-24-7- PubChem CID
- 4390
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 28.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 185
Physicochemical properties
- Melting point
- 73 · 73-74 °C(lit.)
- Boiling point
- 283 ℃ · 283℃
- Density
- 0.99 · 0.990
- refractive index
- 1.548 · 1.5480 (estimate)
- Flash point
- 119 ℃ · 119℃
- storage temp.
- 20 °C · Store at <= 20°C.
- solubility
- DMSO: soluble
- form
- powder
- pka
- 1.5 · 1.50±0.53(Predicted)
- color
- white
- Water Solubility
- Soluble in DMSO (10 mg/ml), chloroform (50 mg/ml), and water (20 mg/ml).
- Merck
- 14 · 14,7056
- BRN
- 2044028 · 2044028
- Cosmetics Ingredients Functions
- ANTIOXIDANT
- InChI
- 1S/C11H15NO/c1-11(2,3)12(13)9-10-7-5-4-6-8-10/h4-9H,1-3H3/b12-9-
- InChIKey
- IYSYLWYGCWTJSG-XFXZXTDPSA-N
- SMILES
- CC(C)(C)[N+](\[O-])=C\c1ccccc1
- CAS DataBase Reference
- 3376 · 3376-24-7(CAS DataBase Reference)
- FDA UNII
- 3 I91332OPG · 3I91332OPG
- EPA Substance Registry System
- 2 · 2-Propanamine, 2-methyl-N-(phenylmethylene)-, N-oxide (3376-24-7)
- UNSPSC Code
- 12352202 · 12352202
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
- RTECS
- 1760000 · TX1760000
- F
- 10 · 10
- TSCA
- TSCA listed
- HS Code
- 2929 · 2929 90 00
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety data
- F
- 10
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- TX1760000
- hs_code
- 2929 90 00
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesN-tert-Butyl-a-phenylnitrone is a commonly-used free radical trap. It contains radical scavenging activity and an ability to inhibit Cox-2 (cyclooxygenase-2). N-tert-Butyl-a-phenylnitrone is an antioxidant that has been shown to act as a protective agent in several experimental models of neurodegenerative disorders. N-tert-Butyl-a-phenylnitrone inhibits lipid peroxidation in rat liver microsomes. It also prevents the induction of inducible nitric oxide synthase (iNOS) by reactive oxygen species.
UsesN-tert-Butyl-α-phenylnitrone has been used:as a component of Dneasy Blood&Tissue buffer to preserve the oxidized state of DNA extracted from human non-tumorigenic epithelial breast (MCF10A) cellsas a free radical scavenger of reactive oxygen species (ROS) in microglial (MG) cell linesto attenuate fibroblast senescence in unstable oral squamous cell carcinomas (GU-OSCC)
UsesSpin trap reagent for carbon- or oxygen- or nitrogen-centered free radicals.
General DescriptionMost commonly-used free radical trap. An antioxidant that has been shown to act as a protective agent in several experimental models of neurodegenerative disorders. Inhibits lipid peroxidation in rat liver microsomes. Also prevents the induction of inducible nitric oxide synthase (iNOS) by reactive oxygen species.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
Related reactions
Compound notes
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