Molecule:100930: Difference between revisions
From ChemWiki
molecule
auto-generated |
auto-generated |
||
| Line 11: | Line 11: | ||
|moleculeKey=KHUFHLFHOQVFGB-UHFFFAOYSA-N | |moleculeKey=KHUFHLFHOQVFGB-UHFFFAOYSA-N | ||
|molOrRxn= | |molOrRxn= | ||
RDKit 2D | |||
0 0 0 0 0 0 0 0 0 | 0 0 0 0 0 0 0 0 0 0999 V3000 | ||
M V30 BEGIN CTAB | M V30 BEGIN CTAB | ||
M V30 COUNTS 17 19 0 0 0 | M V30 COUNTS 17 19 0 0 0 | ||
M V30 BEGIN ATOM | M V30 BEGIN ATOM | ||
M V30 1 C 4. | M V30 1 C 4.13485 -3.75007 0 0 | ||
M V30 2 C 5. | M V30 2 C 5.86515 -3.74959 0 0 | ||
M V30 3 C 5. | M V30 3 C 5.00164 -3.24997 0 0 | ||
M V30 4 C 5. | M V30 4 C 5.86515 -4.75053 0 0 | ||
M V30 5 C 4. | M V30 5 C 4.13485 -4.75502 0 0 | ||
M V30 6 C 5. | M V30 6 C 5.00382 -5.25003 0 0 | ||
M V30 7 C 6. | M V30 7 C 6.73201 -5.25103 0 0 | ||
M V30 8 C 7. | M V30 8 C 7.59886 -4.75058 0 0 | ||
M V30 9 C 7. | M V30 9 C 7.59886 -3.74963 0 0 | ||
M V30 10 C 6. | M V30 10 C 6.73201 -3.24914 0 0 | ||
M V30 11 O 6. | M V30 11 O 6.73202 -2.24914 0 0 | ||
M V30 12 O 6. | M V30 12 O 6.73201 -6.25103 0 0 | ||
M V30 13 C 8. | M V30 13 C 8.46336 -3.25126 0 0 | ||
M V30 14 C 9. | M V30 14 C 9.33054 -3.75159 0 0 | ||
M V30 15 C 8. | M V30 15 C 8.46951 -5.25291 0 0 | ||
M V30 16 C 9. | M V30 16 C 9.33274 -4.7475 0 0 | ||
M V30 17 N 8. | M V30 17 N 8.46353 -2.25126 0 0 | ||
M V30 END ATOM | M V30 END ATOM | ||
M V30 BEGIN BOND | M V30 BEGIN BOND | ||
M V30 1 | M V30 1 4 3 1 | ||
M V30 2 | M V30 2 4 4 2 | ||
M V30 3 | M V30 3 4 1 5 | ||
M V30 4 | M V30 4 4 2 3 | ||
M V30 5 | M V30 5 4 5 6 | ||
M V30 6 | M V30 6 4 6 4 | ||
M V30 7 1 4 7 | M V30 7 1 4 7 | ||
M V30 8 1 7 8 | M V30 8 1 7 8 | ||
M V30 9 | M V30 9 4 8 9 | ||
M V30 10 1 9 10 | M V30 10 1 9 10 | ||
M V30 11 1 10 2 | M V30 11 1 10 2 | ||
M V30 12 2 10 11 | M V30 12 2 10 11 | ||
M V30 13 2 7 12 | M V30 13 2 7 12 | ||
M V30 14 | M V30 14 4 14 13 | ||
M V30 15 | M V30 15 4 8 15 | ||
M V30 16 | M V30 16 4 13 9 | ||
M V30 17 | M V30 17 4 15 16 | ||
M V30 18 | M V30 18 4 16 14 | ||
M V30 19 1 13 17 | M V30 19 1 13 17 | ||
M V30 END BOND | M V30 END BOND | ||
| Line 59: | Line 59: | ||
M END | M END | ||
|smiles= | |smiles=Nc1cccc2c1C(=O)c1ccccc1C2=O | ||
|inchi=1S/C14H9NO2/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-7H,15H2 | |inchi=InChI=1S/C14H9NO2/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-7H,15H2 | ||
|inchikey=KHUFHLFHOQVFGB-UHFFFAOYSA-N | |inchikey=KHUFHLFHOQVFGB-UHFFFAOYSA-N | ||
|width=200 | |width=200 | ||
Latest revision as of 16:18, 10 March 2025
| Properties | |
|---|---|
| CID | 6710 |
| CAS | 82-45-1 |
| IUPAC-Name | 1-azanylanthracene-9,10-dione |
| Abbreviation | n/a |
| Trivialname | 1-aminoanthraquinone |
| Exact mass | 223.063328530 |
| Molecular formula | C14H9NO2 |
| LogP | 3.2 |
| Has vendors | true |
| Molecular role | n/a |
| Synonyms | 1-AMINOANTHRAQUINONE, 1-aminoanthracene-9,10-dione, 1-Amino anthraquinone, Diazo Fast Red AL, Anthraquinone, 1-amino-, 1-Aminoanthrachinon, 1-Amino-9,10-anthraquinone, 1-Amino-anthraquinone, 9,10-Anthracenedione, 1-amino-, alpha-Aminoanthraquinone |
Click here to copy MOL-file.
Click here to show SMILES and InChI.
Belongs to molecule collection: Molecule collection 100929
Molecule is used on following pages
publication
investigation
Molecule roles
| Investigation type | Photosensitizer |
|---|---|
| Photocatalytic CO2 conversion experiments |
|
| Cyclic Voltammetry experiments |  |
| Absorption Emission Spectroscopy experiments | |
| Ultraviolett Visuell experiments | |
