1-Amino-4-methoxyanthraquinone
Basic information
- CAS
116-83-6- Standard SMILES
COc1ccc(N)c2c1C(=O)c1ccccc1C2=O- InChIKey
KXOGXZAXERYOTC-UHFFFAOYSA-N- Molecular formula
- C15H11NO3
- Average molar mass
- 253.25 g/mol
- Monoisotopic mass
- 253.07389321
Names & identifiers
- Preferred name
- 1-Amino-4-methoxyanthraquinone
- IUPAC
- 1-amino-4-methoxyanthracene-9,10-dione
- English name
- 1-amino-4-methoxyanthracene-9,10-dione
- Molecular formula
- C15H11NO3
- Molecular weight
- 253.25
Names & synonyms
1-amino-4-methoxyanthracene-9,10-dione116-83-61-Amino-4-methoxyanthraquinone4-Methoxy-1-anthraquinonylamine1-Amino-4-methoxy-9,10-anthraquinoneANTHRAQUINONE, 1-AMINO-4-METHOXY-BCH9T82ZKZCHEMBL6000089,10-Anthracenedione, 1-amino-4-methoxy-NSC-84162NSC 84162BRN 2218945
Show more names
1-azanyl-4-methoxy-anthracene-9,10-dione
NSC84162UNII-BCH9T82ZKZ9, 1-amino-4-methoxy-cid_83219,10-Anthracenedione, 1-amino-4-methoxy- (9CI)MLS0005853441-Methoxy-4-aminoanthraquinoneSCHEMBL2303569
Database identifiers
- CAS
116-83-6- PubChem CID
- 8321
- DTXSID
DTXSID40151262- ChEMBL
CHEMBL600008- UNII
- BCH9T82ZKZ
- Nikkaji
- J62.259A
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 395
Physicochemical properties
- Melting point
- 171 °C · 171 °C
- Boiling point
- 502 · 502.0±50.0 °C(Predicted)
- Density
- 1.366 · 1.366±0.06 g/cm3(Predicted)
- pka
- 0.21 · 0.21±0.20(Predicted)
- FDA UNII
- 9 T82ZKZ · BCH9T82ZKZ
Chemistry & industry
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