HC Red no. 9
Basic information
- CAS
56330-88-2- Standard SMILES
CNc1ccc(N=C2C=C(C)C(=O)C=C2NC(N)=O)cc1Cl- InChIKey
WGLVXBPQHZHCAS-UHFFFAOYSA-N- Molecular formula
- C15H15ClN4O2
- Average molar mass
- 318.76 g/mol
- Monoisotopic mass
- 318.0883534
Names & identifiers
- Preferred name
- HC Red no. 9
- IUPAC
- [6-[3-chloro-4-(methylamino)phenyl]imino-4-methyl-3-oxocyclohexa-1,4-dien-1-yl]urea
- English name
- [6-[[3-chloro-4-(methylamino)phenyl]imino]-4-methyl-3-oxocyclohexa-1,4-dien-1-yl]urea
- Molecular formula
- C15H15ClN4O2
- Molecular weight
- 318.76
Names & synonyms
HC Red no. 956330-88-2713D86460C1-(6-((3-Chloro-4-(methylamino)phenyl)imino)-4-methyl-3-oxocyclohexa-1,4-dien-1-yl)ureaUNII-713D86460CEINECS 260-116-4IMEXINE INHC Red 9SCHEMBL1435815SCHEMBL1435819DTXSID30879802WGLVXBPQHZHCAS-UHFFFAOYSA-N
Show more names
HCRED9[6-[[3-chloro-4-(methylamino)phenyl]imino]-4-methyl-3-oxocyclohexa-1,4-dien-1-yl]urea1-[6-[[3-Chloro-4-(methylamino)phenyl]imino]-4-methyl-3-oxo-1,4-cyclohexadien-1-yl]urea(6-((3-Chloro-4-(methylamino)phenyl)imino)-4-methyl-3-oxo-1,4-cyc- loh exadien-1-yl)ureaUrea, N-[6-[[3-chloro-4-(methylamino)phenyl]imino]-4-methyl-3-oxo-1,4-cyclohexadien-1-yl]-Urea, (6-((3-chloro-4-(methylamino)phenyl)imino)-4-methyl-3-oxo-1,4-cyc- lohexadien-1-yl)-
(6-((3-Chloro-4-(methylamino)phenyl)imino)-4-methyl-3-oxo-1,4-cyc- lohexadien-1-yl)ureaDB-300291NS00013731Q27265912(6-((3-Chloro-4-(methylamino)phenyl)imino)-4-methyl-3-oxocyclohexa-1,4-dien-1-yl)urea[6-[[3-Chloro-4-(methylamino)phenyl ]imino]-4-methyl-3-oxocyclohexa-1,4-dien-1-yl ]ureaN-((3'-Chloro-4'methylamino)-phenyl)-2-methyl-5-ureido-1,4-benzoq- uinone-imineN-[(6E)-6-{[3-Chloro-4-(methylamino)phenyl]imino}-4-methyl-3-oxocyclohexa-1,4-dien-1-yl]urea
Database identifiers
- CAS
56330-88-2- PubChem CID
- 91809
- DTXSID
DTXSID30879802- UNII
- 713D86460C
- EC Number
- 260-116-4
- Nikkaji
- J296.640I
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 96.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 568
Experimental & physicochemical properties
CosmeticsHair dyeing
Physicochemical properties
- Cosmetics Ingredients Functions
- HAIR DYEING
- EWG's Food Scores
- 1 · 1-3
- FDA UNII
- 713 D86460C · 713D86460C
Chemistry & industry
Uses & manufacturing
Use ClassificationCosmetics -> Hair dyeing
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Related reactions
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Compound notes
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