2-Anthracenecarboxamide, 1-amino-N-(3-(cyclohexylmethylamino)propyl)-9,10-dihydro-4-(methylamino)-9,10-dioxo-
Basic information
- CAS
6041-29-8- Standard SMILES
CNc1cc(C(N)=O)c(NCCCN(C)C2CCCCC2)c2c1C(=O)c1ccccc1C2=O- InChIKey
ULFCYLLDLQBZCN-UHFFFAOYSA-N- Molecular formula
- C26H32N4O3
- Average molar mass
- 448.6 g/mol
- Monoisotopic mass
- 448.2474409
Names & identifiers
- Preferred name
- 2-Anthracenecarboxamide, 1-amino-N-(3-(cyclohexylmethylamino)propyl)-9,10-dihydro-4-(methylamino)-9,10-dioxo-
- IUPAC
- 1-[3-[cyclohexyl(methyl)amino]propylamino]-4-(methylamino)-9,10-dioxoanthracene-2-carboxamide
Names & synonyms
EINECS 227-929-62-Anthracenecarboxamide, 1-amino-N-(3-(cyclohexylmethylamino)propyl)-9,10-dihydro-4-(methylamino)-9,10-dioxo-2-Anthracenecarboxamide, 1-amino-N-[3-(cyclohexylmethylamino)propyl]-9,10-dihydro-4-(methylamino)-9,10-dioxo-RefChem:4652476041-29-8DTXSID10975816ULFCYLLDLQBZCN-UHFFFAOYSA-N1-({3-[Cyclohexyl(methyl)amino]propyl}amino)-4-(methylamino)-9,10-dioxo-9,10-dihydroanthracene-2-carboximidic acid1-Amino-N-(3-(cyclohexylmethylamino)propyl)-9,10-dihydro-4-(methylamino)-9,10-dioxoanthracene-2-carboxamide
Database identifiers
- CAS
6041-29-8- PubChem CID
- 80141
- DTXSID
DTXSID10975816- EC Number
- 227-929-6
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 722
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Anthracenecarboxamide, 1-amino-N-[3-(cyclohexylmethylamino)propyl]-9,10-dihydro-4-(methylamino)-9,10-dioxo-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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