Molecule:100930: Difference between revisions
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|hasVendors=true | |hasVendors=true | ||
|moleculeKey=KHUFHLFHOQVFGB-UHFFFAOYSA-N | |moleculeKey=KHUFHLFHOQVFGB-UHFFFAOYSA-N | ||
|molOrRxn= | |molOrRxn= | ||
-INDIGO-05222412132D | |||
0 0 0 0 0 0 0 0 0 | 0 0 0 0 0 0 0 0 0 0 0 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 4.13372 -3.74905 0.0 0 | ||
M V30 2 C 5. | M V30 2 C 5.86355 -3.74857 0.0 0 | ||
M V30 3 C 5. | M V30 3 C 5.00028 -3.24909 0.0 0 | ||
M V30 4 C 5. | M V30 4 C 5.86355 -4.74924 0.0 0 | ||
M V30 5 C 4. | M V30 5 C 4.13372 -4.75373 0.0 0 | ||
M V30 6 C 5. | M V30 6 C 5.00246 -5.2486 0.0 0 | ||
M V30 7 C 6. | M V30 7 C 6.73018 -5.2496 0.0 0 | ||
M V30 8 C 7. | M V30 8 C 7.59679 -4.74929 0.0 0 | ||
M V30 9 C 7. | M V30 9 C 7.59679 -3.74861 0.0 0 | ||
M V30 10 C 6. | M V30 10 C 6.73018 -3.24826 0.0 0 | ||
M V30 11 O 6. | M V30 11 O 6.73019 -2.24853 0.0 0 | ||
M V30 12 O 6. | M V30 12 O 6.73018 -6.24933 0.0 0 | ||
M V30 13 C 8. | M V30 13 C 8.46106 -3.25037 0.0 0 | ||
M V30 14 C 9. | M V30 14 C 9.328 -3.75057 0.0 0 | ||
M V30 15 C 8. | M V30 15 C 8.4672 -5.25148 0.0 0 | ||
M V30 16 C 9. | M V30 16 C 9.3302 -4.74621 0.0 0 | ||
M V30 17 N 8. | M V30 17 N 8.46123 -2.25065 0.0 0 | ||
M V30 END ATOM | M V30 END ATOM | ||
M V30 BEGIN BOND | M V30 BEGIN BOND | ||
M V30 1 | M V30 1 1 3 1 | ||
M V30 2 | M V30 2 1 4 2 | ||
M V30 3 | M V30 3 2 1 5 | ||
M V30 4 | M V30 4 2 2 3 | ||
M V30 5 | M V30 5 1 5 6 | ||
M V30 6 | M V30 6 2 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 1 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 1 14 13 | ||
M V30 15 | M V30 15 2 8 15 | ||
M V30 16 | M V30 16 2 13 9 | ||
M V30 17 | M V30 17 1 15 16 | ||
M V30 18 | M V30 18 2 16 14 | ||
M V30 19 1 13 17 | M V30 19 1 13 17 | ||
M V30 END BOND | M V30 END BOND | ||
M V30 END CTAB | M V30 END CTAB | ||
M END | M END | ||
|smiles= | |||
|inchi | |smiles=C1=CC=C2C(=O)C3=CC=CC(N)=C3C(=O)C2=C1 | ||
|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 | ||
Revision as of 11:14, 22 May 2024
| 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 |
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Belongs to molecule collection: Molecule collection 100929
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