1-butylquinoline-2,4(1H,3H)-dione
Basic information
- CAS
883797-61-3- Standard SMILES
CCCCN1C(=O)CC(=O)c2ccccc21- InChIKey
VBGFLYWUTPWXPK-UHFFFAOYSA-N- Molecular formula
- C13H15NO2
- Average molar mass
- 217.26 g/mol
- Monoisotopic mass
- 217.11027872
Names & identifiers
- Preferred name
- 1-butylquinoline-2,4(1H,3H)-dione
- IUPAC
- 1-butylquinoline-2,4-dione
- English name
- 1-Butylquinoline-2,4(1H,3H)-dione
- Molecular formula
- C13H15NO2
- Molecular weight
- 217.26
Names & synonyms
1-butylquinoline-2,4(1H,3H)-dione883797-61-31-butylquinoline-2,4-dioneMFCD010261462,4(1H,3H)-quinolinedione, 1-butyl-1-BUTYL-1H-QUINOLINE-2,4-DIONE1-butylquinoline-2,4-quinoneALBB-014259AKOS005174298LS-04486SY489031ST5449056
Show more names
CS-0363840H30655
Database identifiers
- CAS
883797-61-3- PubChem CID
- 5080116
- EC Number
- 104-478-2
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 288
Physicochemical properties
- Boiling point
- 431.9 · 431.9±34.0 °C(Predicted)
- Density
- 1.138 · 1.138±0.06 g/cm3(Predicted)
- pka
- 6.66 · 6.66±0.20(Predicted)
- HazardClass
- IRRITANT
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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- hazard_class
- IRRITANT
Suppliers
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Compound notes
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