Basic information
- CAS
70477-04-2- Standard SMILES
CCN(CC)CCNc1ccc(NCCN(CC)CC)c2c1C(=O)c1ccccc1C2=O- InChIKey
SKFYKJLSKFOQLM-UHFFFAOYSA-N- Molecular formula
- C26H36N4O2
- Average molar mass
- 436.6 g/mol
- Monoisotopic mass
- 436.2838264
Names & identifiers
- Preferred name
- 9,10-Anthracenedione, 1,4-bis((2-(diethylamino)ethyl)amino)-
- IUPAC
- 1,4-bis[2-(diethylamino)ethylamino]anthracene-9,10-dione
- English name
- 9,10-Anthracenedione, 1,4-bis((2-(diethylamino)ethyl)amino)-
- Molecular formula
- C26H36N4O2
- Molecular weight
- 436.59
Names & synonyms
9,10-Anthracenedione, 1,4-bis((2-(diethylamino)ethyl)amino)-70477-04-21,4-Bis((2-(diethylamino)ethyl)amino)-9,10-anthracenedioneDTXSID70220753RefChem:548529DTXCID00143244CHEMBL416895SCHEMBL7152625SKFYKJLSKFOQLM-UHFFFAOYSA-NAKOS0244064231,4-bis(2-diethylaminoethylamino)anthraquinone1,4-bis-{[2-(diethylamino)ethyl]amino}anthracene-9,10-dione
Show more names
1,4-bis{[2-(diethylamino)ethyl]amino}anthracene-9,10-dione1,4-BIS((2-(DIETHYLAMINO)ETHYL)AMINO)ANTHRA-9,10-QUINONE
Database identifiers
- CAS
70477-04-2- PubChem CID
- 153166
- DTXSID
DTXSID70220753- ChEMBL
CHEMBL416895- EC Number
- 103-556-3
- Nikkaji
- J485.149H
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 64.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 553
Physicochemical properties
- Melting point
- 109 °C · 109 °C
- Boiling point
- 618.2 · 618.2±55.0 °C(Predicted)
- Density
- 1.156 · 1.156±0.06 g/cm3(Predicted)
- pka
- 10.3 · 10.30±0.25(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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
2 records
Compound notes
Loading…