Basic information
- CAS
129-45-3- Standard SMILES
CCCCNc1cccc2c1C(=O)c1ccccc1C2=O- InChIKey
AHOSCUOPPDQVDR-UHFFFAOYSA-N- Molecular formula
- C18H17NO2
- Average molar mass
- 279.3 g/mol
- Monoisotopic mass
- 279.12592879
Names & identifiers
- Preferred name
- 1-(Butylamino)anthraquinone
- IUPAC
- 1-(butylamino)anthracene-9,10-dione
- English name
- 1-(butylamino)anthraquinone
- Molecular formula
- C18H17NO2
- Molecular weight
- 279.33
Names & synonyms
1-(Butylamino)anthraquinoneAnthraquinone, 1-(butylamino)-9,10-Anthracenedione, 1-(butylamino)-I667G836ECEINECS 204-948-8NSC 509654NSC-509654UNII-I667G836ECDTXSID60596031-(BUTYLAMINO)-9,10-ANTHRACENEDIONERefChem:74644DTXCID9033927
Show more names
1-(Butylamino)-9,10-anthraquinonePolyethylene glycol octadecyl ether (50)
Anthraquinone, 1-(butylamino)-(8CI)204-948-8129-45-31-(butylamino)anthracene-9,10-dioneNSC5096541-butylaminoanthraquinone9, 1-(butylamino)-1-butylamino anthraquinone
Database identifiers
- CAS
129-45-3- PubChem CID
- 67212
- DTXSID
DTXSID6059603- UNII
- I667G836EC
- EC Number
- 204-948-8
- Nikkaji
- J184.369I
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 406
Physicochemical properties
- Melting point
- 81 · 81-82 °C(Solv: acetic acid (64-19-7))
- Boiling point
- 485.5 · 485.5±34.0 °C(Predicted)
- Density
- 1.224 · 1.224±0.06 g/cm3(Predicted)
- pka
- 2.47 · 2.47±0.20(Predicted)
- FDA UNII
- 667 G836EC · I667G836EC
- EPA Substance Registry System
- 9 · 9,10-Anthracenedione, 1-(butylamino)- (129-45-3)
- TSCA
- TSCA listed
Safety & regulation
Hazard information
Regulatory InformationChemical: 9,10-Anthracenedione, 1-(butylamino)-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Regulatory information
Regulatory InformationChemical: 9,10-Anthracenedione, 1-(butylamino)-
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information9,10-Anthracenedione, 1-(butylamino)-: INACTIVE
Upstream & downstream products
Downstream products
Suppliers1 total
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
Related reactions
2 records
Compound notes
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