1-Amino-5-acetylamino-anthraquinone

HCID 236909
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
6960-55-0
Standard SMILES
CC(=O)Nc1cccc2c1C(=O)c1cccc(N)c1C2=O
InChIKey
FXYMBQQAXFHRGC-UHFFFAOYSA-N
Molecular formula
C16H12N2O3
Average molar mass
280.28 g/mol
Monoisotopic mass
280.08479224

Names & identifiers

Preferred name
1-Amino-5-acetylamino-anthraquinone
IUPAC
N-(5-amino-9,10-dioxoanthracen-1-yl)acetamide

Names & synonyms

6960-55-0NSC39949AN9SCHEMBL8777843SCHEMBL31040609SCHEMBL31040610DTXSID00989689FXYMBQQAXFHRGC-UHFFFAOYSA-N1-amino-5-acetylamino-anthraquinoneNSC-39949N-(5-Amino-9,10-dioxo-9,10-dihydroanthracen-1-yl)ethanimidic acid

Database identifiers

CAS
6960-55-0
PubChem CID
236909
DTXSID
DTXSID00989689

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
89.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
21

Related reactions

1 records
New reaction record

Compound notes

Loading…