Swietenidin B
Basic information
- CAS
2721-56-4- Standard SMILES
COc1c(OC)c2ccccc2[nH]c1=O- InChIKey
SZUBEJQEEOURQH-UHFFFAOYSA-N- Molecular formula
- C11H11NO3
- Average molar mass
- 205.21 g/mol
- Monoisotopic mass
- 205.07389321
Overview
Swietenidin B is a member of quinolines.
Names & identifiers
- Preferred name
- Swietenidin B
- IUPAC
- 3,4-dimethoxy-1H-quinolin-2-one
- English name
- 3,4-Dimethoxy-2-quinolinol
- Molecular formula
- C11H11NO3
- Molecular weight
- 205.21
Names & synonyms
Swietenidin B3,4-Dimethoxy-2-quinolinol2721-56-4Swietenidine B3,4-dimethoxy-1H-quinolin-2-oneC107413,4-dimethoxy-2(1H)-quinolinoneAC1L9DOHCTK8H94423,4-Dimethoxyquinolin-2(1H)-one3,4-Dimethoxy-carbostyrilSureCN4065612
Show more names
2(1H)-Quinolinone, 3,4-dimethoxy-
CHEBI:9373orb1680588SCHEMBL4065612DTXSID20332012SZUBEJQEEOURQH-UHFFFAOYSA-NCAA72156TN6153AKOS040763209
Database identifiers
- CAS
2721-56-4- PubChem CID
- 442933
- DTXSID
DTXSID20332012- ChEBI
CHEBI:9373- Nikkaji
- J40.342C
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 298
Physicochemical properties
- Melting point
- 182 °C · 182 °C
- Boiling point
- 464.1 · 464.1±45.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- pka
- 9.77 · 9.77±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Additional notes
DefinitionChEBI: Swietenidin B is a member of quinolines.
Related reactions
2 records
Compound notes
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