8-((Diisobutylamino)methyl)-7-hydroxy-3-phenyl-4H-chromen-4-one
Basic information
- CAS
301691-70-3- Standard SMILES
CC(C)CN(Cc1c(O)ccc2c(=O)c(-c3ccccc3)coc12)CC(C)C- InChIKey
YZRZHQQMBWDZIF-UHFFFAOYSA-N- Molecular formula
- C24H29NO3
- Average molar mass
- 379.5 g/mol
- Monoisotopic mass
- 379.21474379
Names & identifiers
- Preferred name
- 8-((Diisobutylamino)methyl)-7-hydroxy-3-phenyl-4H-chromen-4-one
- IUPAC
- 8-[[bis(2-methylpropyl)amino]methyl]-7-hydroxy-3-phenylchromen-4-one
- English name
- 8-[(diisobutylamino)methyl]-7-hydroxy-3-phenyl-4H-chromen-4-one
- Molecular formula
- C24H29NO3
- Molecular weight
- 379.49
Names & synonyms
8-((DIISOBUTYLAMINO)METHYL)-7-HYDROXY-3-PHENYL-4H-CHROMEN-4-ONE8-[(diisobutylamino)methyl]-7-hydroxy-3-phenyl-4H-chromen-4-one8-[[bis(2-methylpropyl)amino]methyl]-7-hydroxy-3-phenylchromen-4-one301691-70-38-{[bis(2-methylpropyl)amino]methyl}-7-hydroxy-3-phenylchromen-4-oneTimTec1_006554Oprea1_336396Oprea1_424618CHEMBL1626216SCHEMBL13856138HMS1552J20SBB015310
Show more names
4H-1-Benzopyran-4-one, 8-[[bis(2-methylpropyl)amino]methyl]-7-hydroxy-3-phenyl-
STL5134108-{[bis(2-methylpropyl)amino]methyl}-7-hydroxy-3-phenyl-4H-chromen-4-oneAKOS000272702ST50007786AF-399/12447108BRD-K60093900-001-01-6
Database identifiers
- CAS
301691-70-3- PubChem CID
- 5428643
- ChEMBL
CHEMBL1626216- EC Number
- 122-125-0
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 540
Physicochemical properties
- Boiling point
- 529.5 · 529.5±50.0 °C(Predicted)
- Density
- 1.135 · 1.135±0.06 g/cm3(Predicted)
- pka
- 6.1 · 6.10±0.20(Predicted)
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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 CategoriesAcute Tox. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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