Basic information
- CAS
22366-99-0- Standard SMILES
CNc1ccc(NCCCN)c2c1C(=O)c1ccccc1C2=O- InChIKey
MLDHMLJPHZYBDV-UHFFFAOYSA-N- Molecular formula
- C18H19N3O2
- Average molar mass
- 309.4 g/mol
- Monoisotopic mass
- 309.14772686
Names & identifiers
- Preferred name
- 1-[(3-Aminopropyl)amino]-4-(methylamino)-9,10-anthracenedione
- IUPAC
- 1-(3-aminopropylamino)-4-(methylamino)anthracene-9,10-dione
- English name
- 1-[(3-aminopropyl)amino]-4-(methylamino)anthraquinone
- Molecular formula
- C18H19N3O2
- Molecular weight
- 309.36
Names & synonyms
22366-99-0EINECS 244-938-01-((3-Aminopropyl)amino)-4-(methylamino)-9,10-anthracenedioneDTXSID501769011-[(3-Aminopropyl)amino]-4-(methylamino)-9,10-anthracenedione9,10-Anthracendione, 1-((3-aminopropyl)amino)-4-(methylamino)-1-Methylamino-4(gamma-aminopropylamino)anthraquinone, hydrochlorideRefChem:73841DTXCID20993921-((3-Aminopropyl)amino)-4-(methylamino)anthraquinone1-((3-Aminopropyl)amino)-4-(methylamino)anthracene-9,10-dione1-(3-aminopropylamino)-4-(methylamino)anthracene-9,10-dione
Show more names
HCBLUE8HC BLUE NO. 81-[(3-aminopropyl)amino]-4-(methylamino)anthraquinone9,10-Anthracenedione, 1-[(3-aminopropyl)amino]-4-(methylamino)-
1-[(3-AMINOPROPYL)AMINO]-4-(METHYLAMINO)ANTHRACENE-9,10-DIONESCHEMBL111327MLDHMLJPHZYBDV-UHFFFAOYSA-NNS00013724
Database identifiers
- CAS
22366-99-0- PubChem CID
- 89677
- DTXSID
DTXSID50176901- EC Number
- 244-938-0
- Nikkaji
- J285.491K
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 454
Experimental & physicochemical properties
CosmeticsHair dyeing
Physicochemical properties
- Boiling point
- 581.1 · 581.1±50.0 °C(Predicted)
- Density
- 1.318 · 1.318±0.06 g/cm3(Predicted)
- pka
- 10 · 10.00±0.10(Predicted)
- Cosmetics Ingredients Functions
- HAIR DYEING
- EWG's Food Scores
- 1 · 1-3
- FDA UNII
- 3372 O54IP · V3372O54IP
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-[(3-aminopropyl)amino]-4-(methylamino)-
Other Safety InformationIMAP assessments - Anthraquinone-based dyes with limited data availability: Human health tier II assessment
Chemistry & industry
Uses & manufacturing
Use ClassificationCosmetics -> Hair dyeing
Suppliers1 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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