Basic information
- CAS
3443-93-4- Standard SMILES
NC(=O)c1cc(NC2CCCCC2)c2c(c1N)C(=O)c1ccccc1C2=O- InChIKey
NTQMUNJWJPLBFC-UHFFFAOYSA-N- Molecular formula
- C21H21N3O3
- Average molar mass
- 363.4 g/mol
- Monoisotopic mass
- 363.15829154
Names & identifiers
- Preferred name
- 1-Amino-4-(cyclohexylamino)-9,10-dihydro-9,10-dioxoanthracene-2-carboxamide
- IUPAC
- 1-amino-4-(cyclohexylamino)-9,10-dioxoanthracene-2-carboxamide
- English name
- 1-amino-4-(cyclohexylamino)-9,10-dihydro-9,10-dioxoanthracene-2-carboxamide
- Molecular formula
- C21H21N3O3
- Molecular weight
- 363.41
Names & synonyms
3443-93-41-Amino-4-(cyclohexylamino)-9,10-dihydro-9,10-dioxoanthracene-2-carboxamide1-amino-4-(cyclohexylamino)-9,10-dioxoanthracene-2-carboxamideEINECS 222-355-21-amino-4-(cyclohexylamino)-9,10-dioxo-9,10-dihydroanthracene-2-carboxamideSCHEMBL11876188DTXSID70188006NTQMUNJWJPLBFC-UHFFFAOYSA-NNS00021127C.I.62050C.I.Disperse Blue 6Celliton Fast Blue FFG
Show more names
C.I.Disperse Blue 6:C.I.620502-Anthracenecarboxamide, 1-amino-4-(cyclohexylamino)-9,10-dihydro-9,10-dioxo-
Database identifiers
- CAS
3443-93-4- PubChem CID
- 76979
- DTXSID
DTXSID70188006- EC Number
- 222-355-2
- Nikkaji
- J65.255E
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 616
Chemistry & industry
Preparation methods
Preparation1-Amino-4-bromo-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid and Cyclohexanaminereaction, and translated into sodium salt, its product (C.I. Disperse Blue 62) and sodium cyaniding and Ammonium bicarbonatepressure generated in the 1-Amino-4-bromo-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid, then hydrolysis.
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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