2-(3-Methoxypropyl)-9(or 10)-methylbenzimidazo[2,1-b]benzo[lmn][3,8]phenanthroline-1,3,6(2H)-trione
Basic information
- CAS
52673-15-1- Standard SMILES
COCCCN1C(=O)c2ccc3c(=O)n4c5ccc(C)cc5nc4c4ccc(c2c34)C1=O- InChIKey
PMZXKSSDXXNNIO-UHFFFAOYSA-N- Molecular formula
- C25H19N3O4
- Average molar mass
- 425.4 g/mol
- Monoisotopic mass
- 425.1375561
Names & identifiers
- Preferred name
- 2-(3-Methoxypropyl)-9(or 10)-methylbenzimidazo[2,1-b]benzo[lmn][3,8]phenanthroline-1,3,6(2H)-trione
- IUPAC
- 17-(3-methoxypropyl)-6-methyl-3,10,17-triazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4(9),5,7,12,14,19(23),20-nonaene-11,16,18-trione
Names & synonyms
52673-15-1EINECS 258-094-6DTXSID909043862-(3-Methoxypropyl)-9(or 10)-methylbenzimidazo(2,1-b)benzo(lmn)(3,8)phenanthroline-1,3,6(2H)-trione2-(3-methoxypropyl)-9(or 10)-methylbenzimidazo[2,1-b]benzo[lmn][3,8]phenanthroline-1,3,6(2H)-trioneBenzimidazo(2,1-b)benzo(lmn)(3,8)phenanthroline-1,3,6(2H)-trione, 2-(3-methoxypropyl)-9(or 10)-methyl-Benzimidazo[2,1-b]benzo[lmn][3,8]phenanthroline-1,3,6(2H)-trione, 2-(3-methoxypropyl)-9(or 10)-methyl-RefChem:455699DTXCID801333543258-094-6PMZXKSSDXXNNIO-UHFFFAOYSA-NNS00124415
Show more names
2-(3-Methoxypropyl)-10-methyl[1,3]benzimidazo[2,1-b]benzo[lmn][3,8]phenanthroline-1,3,6(2H)-trione
Database identifiers
- CAS
52673-15-1- PubChem CID
- 104284
- DTXSID
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 81.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 817
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
H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, 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
Regulatory Information
Chemical: Benzimidazo[2,1-b]benzo[lmn][3,8]phenanthroline-1,3,6(2H)-trione, 2-(3-methoxypropyl)-9(or 10)-methyl-
REACH registered substance: 2-(3-methoxypropyl)-9(or 10)-methylbenzimidazo[2,1-b]benzo[lmn][3,8]phenanthroline-1,3,6(2H)-trione (EC: 258-094-6)
Hazard Classes and CategoriesAquatic Chronic 3 (100%)
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzimidazo[2,1-b]benzo[lmn][3,8]phenanthroline-1,3,6(2H)-trione, 2-(3-methoxypropyl)-9(or 10)-methyl-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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