B-(4-Nonylphenyl)boronic acid
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Basic information
- CAS
256383-45-6- Standard SMILES
CCCCCCCCCc1ccc(B(O)O)cc1- InChIKey
VONVJOGSLHAKOX-UHFFFAOYSA-N- Molecular formula
- C15H25BO2
- Average molar mass
- 248.17 g/mol
- Monoisotopic mass
- 248.19476044
Names & identifiers
- Preferred name
- B-(4-Nonylphenyl)boronic acid
- IUPAC
- (4-nonylphenyl)boronic acid
- English name
- 4-Nonylphenylboronic acid
- Molecular formula
- C15H25BO2
- Molecular weight
- 248.17
Names & synonyms
256383-45-64-Nonylphenylboronic acidB-(4-Nonylphenyl)boronic acidDTXSID10404611RefChem:1077445DTXCID403554654-N-Nonylphenylboronic acid(4-nonylphenyl)boronic Acid4-N-NONYLBENZENEBORONIC ACIDFAAH/MAGL-IN-44-(n-nonyl) Benzeneboronic AcidMFCD02093070
Show more names
AKOS BRN-0129Nonylbenzeneboronic acid(4-nonylphenyl)boronicaci4-N-nonylphenylbronic acid1-Borono-4-(non-1-yl)benzene4-(Non-1-yl)benzeneboronic acid
Boronic acid,B-(4-nonylphenyl)-p-nonylphenylboronic acid4-nonylbenzene boronic acid2SY8DS7Y3DBoronic acid, B-(4-nonylphenyl)-AS-60762HY-1181584-N-Nonylphenylboronicacid
Database identifiers
- CAS
256383-45-6- PubChem CID
- 4589192
- DTXSID
DTXSID10404611- ChEMBL
CHEMBL485946- UNII
- 2SY8DS7Y3D
- EC Number
- 681-762-7
- Nikkaji
- J3.293.770E
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 189
Physicochemical properties
- Melting point
- 82 · 82-85°C
- Boiling point
- 385.3 · 385.3±35.0 °C(Predicted)
- Density
- 0.97 · 0.97±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- solubility
- Soluble in DMSO (up to 30 mg/ml)
- pka
- 8.72 · 8.72±0.16(Predicted)
- form
- solid
- color
- White
- Water Solubility
- Insoluble in water.
- BRN
- 8215118 · 8215118
- Stability
- 1 year · Stable for 1 year from date of purchase as supplied. Solutions in DMSO may be stored at -20°C for up to 2 months.
- CAS DataBase Reference
- 256383 · 256383-45-6(CAS DataBase Reference)
- FDA UNII
- 2 SY8DS7Y3D · 2SY8DS7Y3D
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- hs_code
- 2931900090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
DescriptionNonylbenzeneboronic acid (CAS 256383-45-6) is a potent and selective inhibitor of fatty acid amide hydrolase (FAAH, the enzyme which hydrolyzes and deactivates anandamide), IC50=9.1 nM1. Also inhibits monoacylglycerol lipase (MAGL, the enzyme which hydrolyzes 2-arachidonoyl-glycerol), IC50=7.9 μM.1
Uses4-n-Nonylbenzeneboronic acid is a potent inhibitor of fatty acid amide hydrolase. It is also able to inhibit monoacylglycerol lipase (MAGL), which hydrolyzes 2-arachidonoyl glycerol (2-AG).
Related reactions
7 records
Compound notes
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