Basic information
- CAS
68479-79-8- Standard SMILES
COCCOC(=O)CCNc1ccc(O)c2c1C(=O)c1c(O)ccc(NCCC(=O)OCCOC)c1C2=O- InChIKey
YVEWFPRYDOIMKL-UHFFFAOYSA-N- Molecular formula
- C26H30N2O10
- Average molar mass
- 530.5 g/mol
- Monoisotopic mass
- 530.19004516
Names & identifiers
- Preferred name
- beta-Alanine, N,N'-(9,10-dihydro-4,8-dihydroxy-9,10-dioxo-1,5-anthracenediyl)bis-, bis(2-methoxyethyl) ester
- IUPAC
- 2-methoxyethyl 3-[[4,8-dihydroxy-5-[[3-(2-methoxyethoxy)-3-oxopropyl]amino]-9,10-dioxoanthracen-1-yl]amino]propanoate
- English name
- bis(2-methoxyethyl) N,N'-(9,10-dihydro-4,8-dihydroxy-9,10-dioxo-1,5-anthracenediyl)bis-beta-alaninate
- Molecular formula
- C26H30N2O10
- Molecular weight
- 530.52
Names & synonyms
68479-79-8EINECS 270-873-2DTXSID8071564N,N'-(4,8-Dihydroxy-9,10-dioxo-1,5-anthracenediyl)bis(beta-alanine), bis(2-methoxyethyl) ester.beta.-Alanine, N,N'-(9,10-dihydro-4,8-dihydroxy-9,10-dioxo-1,5-anthracenediyl)bis-, bis(2-methoxyethyl) esterbeta-Alanine, N,N'-(9,10-dihydro-4,8-dihydroxy-9,10-dioxo-1,5-anthracenediyl)bis-, bis(2-methoxyethyl) esterRefChem:567115DTXCID9046025Bis(2-methoxyethyl) N,N'-(9,10-dihydro-4,8-dihydroxy-9,10-dioxo-1,5-anthracenediyl)bis-beta-alaninateYVEWFPRYDOIMKL-UHFFFAOYSA-NNS00036605Bis(2-methoxyethyl) 3,3'-[(4,8-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-1,5-diyl)bis(azanediyl)]dipropanoate
Show more names
1,5-Dihydroxy-4,8-bis[2-[(2-methoxyethoxy)carbonyl]ethylamino]-9,10-anthraquinoneN,N'-(4,8-Dihydroxy-9,10-dihydro-9,10-dioxoanthracene-1,5-diyl)bis(β-alanine 2-methoxyethyl) esterβ-Alanine, N,N'-(9,10-dihydro-4,8-dihydroxy-9,10-dioxo-1,5-anthracenediyl)bis-, bis(2-methoxyethyl) ester
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 170 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 16
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 758
Physicochemical properties
- Boiling point
- 762.1 · 762.1±60.0 °C(Predicted)
- Density
- 1.397 · 1.397±0.06 g/cm3(Predicted)
- pka
- 7.22 · 7.22±0.20(Predicted)
- EPA Substance Registry System
- .beta.-Alanine, N,N'-(9,10-dihydro-4,8-dihydroxy-9,10-dioxo-1,5-anthracenediyl)bis-, bis(2-methoxyethyl) ester (68479-79-8)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: .beta.-Alanine, N,N'-(9,10-dihydro-4,8-dihydroxy-9,10-dioxo-1,5-anthracenediyl)bis-, bis(2-methoxyethyl) ester
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information.beta.-Alanine, N,N'-(9,10-dihydro-4,8-dihydroxy-9,10-dioxo-1,5-anthracenediyl)bis-, bis(2-methoxyethyl) ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…