3-[N,N-bis(2-hydroxyethyl)amino]methyl-1,8-dihydroxy-9,10-anthraquinone

HCID 147667

Basic information

Standard SMILES
O=C1c2cccc(O)c2C(=O)c2c(O)cc(CN(CCO)CCO)cc21
InChIKey
CACGQJJNTUYKFX-UHFFFAOYSA-N
Molecular formula
C19H19NO6
Average molar mass
357.4 g/mol
Monoisotopic mass
357.12123733

Names & identifiers

Preferred name
3-[N,N-bis(2-hydroxyethyl)amino]methyl-1,8-dihydroxy-9,10-anthraquinone
IUPAC
3-[[bis(2-hydroxyethyl)amino]methyl]-1,8-dihydroxyanthracene-9,10-dione

Names & synonyms

CHEMBL40769SCHEMBL9878325CACGQJJNTUYKFX-UHFFFAOYSA-N3-[N,N-bis(2-hydroxyethyl)amino] methyl-1,8-dihydroxy-9,10-anthraquinone3-[N,N-bis(2-hydroxyethyl)amino]methyl-1,8-dihydroxy-9,10-anthraquinone

Database identifiers

PubChem CID
147667
ChEMBL
CHEMBL40769
Nikkaji
J462.548J

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
118 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
26

Related reactions

3 records

Compound notes

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