Basic information
- CAS
4465-58-1- Standard SMILES
O=C1c2ccccc2C(=O)c2c(NCCO)cccc21- InChIKey
DQIHOZJLTDMMSG-UHFFFAOYSA-N- Molecular formula
- C16H13NO3
- Average molar mass
- 267.28 g/mol
- Monoisotopic mass
- 267.08954328
Names & identifiers
- Preferred name
- 9,10-Anthracenedione, 1-((2-hydroxyethyl)amino)-
- IUPAC
- 1-(2-hydroxyethylamino)anthracene-9,10-dione
- English name
- 1-[(2-hydroxyethyl)amino]anthraquinone
- Molecular formula
- C16H13NO3
- Molecular weight
- 267.28
Names & synonyms
9,10-Anthracenedione, 1-[(2-hydroxyethyl)amino]-ZA5MU28PYREINECS 224-731-11-((2-Hydroxyethyl)amino)anthraquinone9,10-Anthracenedione, 1-((2-hydroxyethyl)amino)-1-(N-(2-Hydroxyethyl)amino)anthraquinoneDTXSID10634851-[(2-HYDROXYETHYL)AMINO]ANTHRAQUINONE1-[(2-Hydroxyethyl)amino]-9,10-anthracenedioneN-(2-HYDROXYETHYL)-1-AMINOANTHRAQUINONE1-((2-HYDROXYETHYL)AMINO)-9,10-ANTHRACENEDIONEDisperse Red 66
Show more names
Solvent Red 222Red LBRed 222C.I.60507SRA Scarlet IIDisperse Red 3Solvent red L - BC.I.Disperse Red 3Solvent Red L-B（C.I. 60507）C.I.Disperse Red 3:C.I.60507
RefChem:107461DTXCID4040349612-694-861902-14-54465-58-11-(2-hydroxyethylamino)anthracene-9,10-dione1-[(2-HYDROXYETHYL)AMINO]-9,10-DIHYDROANTHRACENE-9,10-DIONE1-(2-Hydroxyethylamino)-9,10-anthraquinone
Database identifiers
- CAS
4465-58-1、61902-14-5- PubChem CID
- 20528
- DTXSID
DTXSID1063485- UNII
- ZA5MU28PYR
- EC Number
- 224-731-1、612-694-8
- Nikkaji
- J55.741B
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 395
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
LogP2.11
Physicochemical properties
- Melting point
- 168 °C · 168°C
- Boiling point
- 410.47 °C · 410.47°C (rough estimate)
- Density
- 1.1597 · 1.1597 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- pka
- 14.62 · 14.62±0.10(Predicted)
- Water Solubility
- 4.277 mg/L · 4.277mg/L(25 ºC)
- FDA UNII
- 5 MU28PYR · ZA5MU28PYR
- EPA Substance Registry System
- 9 · 9,10-Anthracenedione, 1-[(2-hydroxyethyl)amino]- (4465-58-1)
- 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: 9,10-Anthracenedione, 1-[(2-hydroxyethyl)amino]-
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 Information9,10-Anthracenedione, 1-[(2-hydroxyethyl)amino]-: INACTIVE
Preparation methods
Preparation1-Chloroanthraquinone and 2-Aminoethanol condensation; 2-Aminoethanoland chlorine ethanol condensation
Upstream & downstream products
Upstream raw materials
Suppliers15 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
湖北齐飞医药化工有限公司027-59322506 18071128681 · [email protected]
湖北达豪化工有限公司027-59106191 13986034860 · [email protected]
湖北信康医药化工有限公司027-027-59308705 18871579363 · [email protected]
湖北拓邦化工有限公司027-59106185 13986192185 · [email protected]
天门恒昌化工有限公司027-59322316 15172518801 · [email protected]
湖北鑫红利化工有限公司027-027-59106151 15172325309 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
湖北实顺生物科技有限公司027-59223025 15107168801 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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