1-(4-(Phenylamino)-1-naphthalenyl)-1H-pyrrole-2,5-dione
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Basic information
- CAS
50539-45-2- Standard SMILES
O=C1C=CC(=O)N1c1ccc(Nc2ccccc2)c2ccccc12- InChIKey
DUFUXAHBRPMOFG-UHFFFAOYSA-N- Molecular formula
- C20H14N2O2
- Average molar mass
- 314.3 g/mol
- Monoisotopic mass
- 314.10552769
Names & identifiers
- Preferred name
- 1-(4-(Phenylamino)-1-naphthalenyl)-1H-pyrrole-2,5-dione
- IUPAC
- 1-(4-anilinonaphthalen-1-yl)pyrrole-2,5-dione
- English name
- N-(1-ANILINONAPHTHYL-4)-MALEIMIDE
- Molecular formula
- C20H14N2O2
- Molecular weight
- 314.34
Names & synonyms
50539-45-2N-(1-anilinonaphthalyl)-4-maleimide67CW54468C1H-Pyrrole-2,5-dione, 1-(4-(phenylamino)-1-naphthalenyl)-DTXSID30198545RefChem:823533DTXCID90121036N-(1-anilinonaphthyl-4-)-maleimide1-(4-(Phenylamino)-1-naphthalenyl)-1H-pyrrole-2,5-dione256-618-8N-(4-Anilino-1-naphthyl)maleimideN-(1-ANILINONAPHTHYL-4)-MALEIMIDE
Show more names
ANMNEM5STNTTNTStroponin T1N-(1-Anilinophenyl)maleimideN-(1-ANILINONAPHTHYL-4)-MALEIMIDE[ANM]
1-(4-anilinonaphthalen-1-yl)pyrrole-2,5-dione1-(4-(Phenylamino)naphthalen-1-yl)-1H-pyrrole-2,5-dione1-[4-(phenylamino)naphthalen-1-yl]-2,5-dihydro-1H-pyrrole-2,5-dioneUNII-67CW54468CEINECS 256-618-8SCHEMBL38316orb2565742SCHEMBL29367034
Database identifiers
- CAS
50539-45-2- PubChem CID
- 121973
- DTXSID
DTXSID30198545- UNII
- 67CW54468C
- EC Number
- 256-618-8
- Nikkaji
- J261.535E
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 506
Physicochemical properties
- Melting point
- 207 °C · 207 °C
- Boiling point
- 454.02 °C · 454.02°C (rough estimate)
- Density
- 1.2303 · 1.2303 (rough estimate)
- refractive index
- 1.57 · 1.5700 (estimate)
- pka
- 3.5 · 3.50±0.30(Predicted)
- CAS DataBase Reference
- 50539 · 50539-45-2
- FDA UNII
- 67 CW54468C · 67CW54468C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 8-10-21
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)
Applications
UsesN-(4-Anilino-1-naphthyl)maleimide is a fluorescent probe that can be used to detect thiol groups in proteins. N-(4-Anilino-1-naphthyl)maleimide reacts with thiol groups and immediately produces a stable fluorescent compound with the λex=355 nm, λem=448 nm[1].
Related reactions
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Compound notes
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