Organoheterocyclic compounds
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Imiquimod 98.0+%, TCI America™
CAS: 99011-02-6 Molecular Formula: C14H16N4 Molecular Weight (g/mol): 240.31 MDL Number: MFCD00866946 InChI Key: DOUYETYNHWVLEO-UHFFFAOYSA-N Synonym: imiquimod,aldara,zyclara,beselna,1-2-methylpropyl-1h-imidazo 4,5-c quinolin-4-amine,zartra,imiquimod acetate,1-isobutyl-1h-imidazo 4,5-c quinolin-4-amine,4-amino-1-isobutyl-1h-imidazo 4,5-c quinoline PubChem CID: 57469 ChEBI: CHEBI:36704 IUPAC Name: 1-(2-methylpropyl)-1H-imidazo[4,5-c]quinolin-4-amine SMILES: CC(C)CN1C=NC2=C1C1=CC=CC=C1N=C2N
| PubChem CID | 57469 |
|---|---|
| CAS | 99011-02-6 |
| Molecular Weight (g/mol) | 240.31 |
| ChEBI | CHEBI:36704 |
| MDL Number | MFCD00866946 |
| SMILES | CC(C)CN1C=NC2=C1C1=CC=CC=C1N=C2N |
| Synonym | imiquimod,aldara,zyclara,beselna,1-2-methylpropyl-1h-imidazo 4,5-c quinolin-4-amine,zartra,imiquimod acetate,1-isobutyl-1h-imidazo 4,5-c quinolin-4-amine,4-amino-1-isobutyl-1h-imidazo 4,5-c quinoline |
| IUPAC Name | 1-(2-methylpropyl)-1H-imidazo[4,5-c]quinolin-4-amine |
| InChI Key | DOUYETYNHWVLEO-UHFFFAOYSA-N |
| Molecular Formula | C14H16N4 |
9-Aminoacridine Hydrochloride Monohydrate 98.0+%, TCI America™
CAS: 52417-22-8 Molecular Formula: C13H11ClN2 Molecular Weight (g/mol): 230.70 MDL Number: MFCD00012663 InChI Key: FTGPOQQGJVJDCT-UHFFFAOYSA-N Synonym: 9-aminoacridine hydrochloride monohydrate,acridin-9-amine hydrochloride hydrate,9-aminoacridine hydrochloride hydrate,9-acridinamine, monohydrochloride, monohydrate,9-aminoacridine, monohydrochloride, monohydrate,acridin-9-ylamine,dsstox_cid_4457,dsstox_rid_77405,dsstox_gsid_24457,acridine-9-ylamine, chloride, hydrate PubChem CID: 2723598 IUPAC Name: acridin-9-amine hydrochloride SMILES: Cl.NC1=C2C=CC=CC2=NC2=CC=CC=C12
| PubChem CID | 2723598 |
|---|---|
| CAS | 52417-22-8 |
| Molecular Weight (g/mol) | 230.70 |
| MDL Number | MFCD00012663 |
| SMILES | Cl.NC1=C2C=CC=CC2=NC2=CC=CC=C12 |
| Synonym | 9-aminoacridine hydrochloride monohydrate,acridin-9-amine hydrochloride hydrate,9-aminoacridine hydrochloride hydrate,9-acridinamine, monohydrochloride, monohydrate,9-aminoacridine, monohydrochloride, monohydrate,acridin-9-ylamine,dsstox_cid_4457,dsstox_rid_77405,dsstox_gsid_24457,acridine-9-ylamine, chloride, hydrate |
| IUPAC Name | acridin-9-amine hydrochloride |
| InChI Key | FTGPOQQGJVJDCT-UHFFFAOYSA-N |
| Molecular Formula | C13H11ClN2 |
4-Methyloxazole-5-carboxylic Acid 98.0+%, TCI America™
CAS: 2510-32-9 Molecular Formula: C5H5NO3 Molecular Weight (g/mol): 127.099 MDL Number: MFCD01571070 InChI Key: ZIXUNDOOBLSXPE-UHFFFAOYSA-N Synonym: 4-methyloxazole-5-carboxylic acid,4-methyl-5-oxazolecarboxylic acid,5-oxazolecarboxylic acid, 4-methyl,4-methyl-oxazole-5-carboxylic acid,ksc205g3h,4-methyl-5-oxazolecarboxylicacid,4-methyl-oxazol-5-carboxylic acid,4-methoxyoxazole-5-carboxylic acid,5-oxazolecarboxylicacid, 4-methyl PubChem CID: 292311 IUPAC Name: 4-methyl-1,3-oxazole-5-carboxylic acid SMILES: CC1=C(OC=N1)C(=O)O
| PubChem CID | 292311 |
|---|---|
| CAS | 2510-32-9 |
| Molecular Weight (g/mol) | 127.099 |
| MDL Number | MFCD01571070 |
| SMILES | CC1=C(OC=N1)C(=O)O |
| Synonym | 4-methyloxazole-5-carboxylic acid,4-methyl-5-oxazolecarboxylic acid,5-oxazolecarboxylic acid, 4-methyl,4-methyl-oxazole-5-carboxylic acid,ksc205g3h,4-methyl-5-oxazolecarboxylicacid,4-methyl-oxazol-5-carboxylic acid,4-methoxyoxazole-5-carboxylic acid,5-oxazolecarboxylicacid, 4-methyl |
| IUPAC Name | 4-methyl-1,3-oxazole-5-carboxylic acid |
| InChI Key | ZIXUNDOOBLSXPE-UHFFFAOYSA-N |
| Molecular Formula | C5H5NO3 |
4-(2-Benzoxazolyl)-4'-(5-methyl-2-benzoxazolyl)stilbene 95.0+%, TCI America™
CAS: 5242-49-9 Molecular Formula: C29H20N2O2 Molecular Weight (g/mol): 428.491 InChI Key: SOTPOQQKAUOHRO-BQYQJAHWSA-N PubChem CID: 5761588 IUPAC Name: 2-[4-[(E)-2-[4-(1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-5-methyl-1,3-benzoxazole SMILES: CC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)C=CC4=CC=C(C=C4)C5=NC6=CC=CC=C6O5
| PubChem CID | 5761588 |
|---|---|
| CAS | 5242-49-9 |
| Molecular Weight (g/mol) | 428.491 |
| SMILES | CC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)C=CC4=CC=C(C=C4)C5=NC6=CC=CC=C6O5 |
| IUPAC Name | 2-[4-[(E)-2-[4-(1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-5-methyl-1,3-benzoxazole |
| InChI Key | SOTPOQQKAUOHRO-BQYQJAHWSA-N |
| Molecular Formula | C29H20N2O2 |
1,2-Epoxyheptane 96.0+%, TCI America™
CAS: 5063-65-0 Molecular Formula: C7H14O Molecular Weight (g/mol): 114.19 MDL Number: MFCD00037521 InChI Key: NMOFYYYCFRVWBK-UHFFFAOYNA-N Synonym: 1,2-Heptylene Oxide PubChem CID: 92215 IUPAC Name: 2-pentyloxirane SMILES: CCCCCC1CO1
| PubChem CID | 92215 |
|---|---|
| CAS | 5063-65-0 |
| Molecular Weight (g/mol) | 114.19 |
| MDL Number | MFCD00037521 |
| SMILES | CCCCCC1CO1 |
| Synonym | 1,2-Heptylene Oxide |
| IUPAC Name | 2-pentyloxirane |
| InChI Key | NMOFYYYCFRVWBK-UHFFFAOYNA-N |
| Molecular Formula | C7H14O |
1,2-Epoxyhexadecane 80.0+%, TCI America™
CAS: 7320-37-8 Molecular Formula: C16H32O Molecular Weight (g/mol): 240.43 MDL Number: MFCD00005151 InChI Key: DSZTYVZOIUIIGA-UHFFFAOYNA-N Synonym: 1,2-Hexadecylene Oxide PubChem CID: 23741 ChEBI: CHEBI:34054 IUPAC Name: 2-tetradecyloxirane SMILES: CCCCCCCCCCCCCCC1CO1
| PubChem CID | 23741 |
|---|---|
| CAS | 7320-37-8 |
| Molecular Weight (g/mol) | 240.43 |
| ChEBI | CHEBI:34054 |
| MDL Number | MFCD00005151 |
| SMILES | CCCCCCCCCCCCCCC1CO1 |
| Synonym | 1,2-Hexadecylene Oxide |
| IUPAC Name | 2-tetradecyloxirane |
| InChI Key | DSZTYVZOIUIIGA-UHFFFAOYNA-N |
| Molecular Formula | C16H32O |
1,2-Epoxy-5-hexene 96.0+%, TCI America™
CAS: 10353-53-4 Molecular Formula: C6H10O Molecular Weight (g/mol): 98.145 MDL Number: MFCD00010051 InChI Key: MUUOUUYKIVSIAR-UHFFFAOYSA-N Synonym: 1,2-epoxy-5-hexene,diallyl monoxide,2-3-butenyl oxirane,diallyl monooxide,oxirane, 3-butenyl,3-butenyloxirane,1-hexene, 5,6-epoxy,2-but-3-en-1-yl oxirane,5,6-epoxyhex-1-ene,ccris 3748 PubChem CID: 66314 IUPAC Name: 2-but-3-enyloxirane SMILES: C=CCCC1CO1
| PubChem CID | 66314 |
|---|---|
| CAS | 10353-53-4 |
| Molecular Weight (g/mol) | 98.145 |
| MDL Number | MFCD00010051 |
| SMILES | C=CCCC1CO1 |
| Synonym | 1,2-epoxy-5-hexene,diallyl monoxide,2-3-butenyl oxirane,diallyl monooxide,oxirane, 3-butenyl,3-butenyloxirane,1-hexene, 5,6-epoxy,2-but-3-en-1-yl oxirane,5,6-epoxyhex-1-ene,ccris 3748 |
| IUPAC Name | 2-but-3-enyloxirane |
| InChI Key | MUUOUUYKIVSIAR-UHFFFAOYSA-N |
| Molecular Formula | C6H10O |
3-Carboxy-2,2,5,5-tetramethylpyrrolidine 1-Oxyl Free Radical 98.0+%, TCI America™
CAS: 2154-68-9 Molecular Formula: C9H16NO3 MDL Number: MFCD00003167 Synonym: pca radical,ccris 4554,2,2,5,5-tetramethyl-3-carboxypyrrolidinooxy,2,2,5,5-tetramethyl-3-carboxypyrrolidine-n-oxyl,3-carboxy-2,2,5,5-tetramethylpyrrolidin-1-yloxy,3-carboxy-2,2,5,5-tetramethylpyrrolidinyloxyl,3-carboxy-2,2,5,5-tetramethyl-1-pyrrolidinyloxy,3-carboxy-2,2,5,5-tetramethylpyrrolidine 1-oxyl,3-carboxy-2,2,5,5-tetramethylpyrrolidine-1-oxyl,2,2,5,5-tetramethyl-1-pyrrolidinyloxy-3-carboxylic acid
| CAS | 2154-68-9 |
|---|---|
| MDL Number | MFCD00003167 |
| Synonym | pca radical,ccris 4554,2,2,5,5-tetramethyl-3-carboxypyrrolidinooxy,2,2,5,5-tetramethyl-3-carboxypyrrolidine-n-oxyl,3-carboxy-2,2,5,5-tetramethylpyrrolidin-1-yloxy,3-carboxy-2,2,5,5-tetramethylpyrrolidinyloxyl,3-carboxy-2,2,5,5-tetramethyl-1-pyrrolidinyloxy,3-carboxy-2,2,5,5-tetramethylpyrrolidine 1-oxyl,3-carboxy-2,2,5,5-tetramethylpyrrolidine-1-oxyl,2,2,5,5-tetramethyl-1-pyrrolidinyloxy-3-carboxylic acid |
| Molecular Formula | C9H16NO3 |
1-Benzyl-4-piperidinecarboxaldehyde 96.0+%, TCI America™
CAS: 22065-85-6 Molecular Formula: C13H17NO Molecular Weight (g/mol): 203.285 MDL Number: MFCD02258902 InChI Key: SGIBOXBBPQRZDM-UHFFFAOYSA-N Synonym: 1-benzyl-4-piperidinecarboxaldehyde,n-benzylpiperidine-4-carboxaldehyde,1-benzyl-4-formylpiperidine,1-benzylpiperidine-4-carboxaldehyde,1-benzy-4-piperidine carboxyaldehyde,1-benzyl-4-piperidinecarbaldehyde,1-benzyl-piperidine-4-carbaldehyde,n-benzyl piperidine-4-carboxaldehyde,4-piperidinecarboxaldehyde, 1-phenylmethyl,n-benzyl-4-formylpiperidine PubChem CID: 89584 IUPAC Name: 1-benzylpiperidine-4-carbaldehyde SMILES: C1CN(CCC1C=O)CC2=CC=CC=C2
| PubChem CID | 89584 |
|---|---|
| CAS | 22065-85-6 |
| Molecular Weight (g/mol) | 203.285 |
| MDL Number | MFCD02258902 |
| SMILES | C1CN(CCC1C=O)CC2=CC=CC=C2 |
| Synonym | 1-benzyl-4-piperidinecarboxaldehyde,n-benzylpiperidine-4-carboxaldehyde,1-benzyl-4-formylpiperidine,1-benzylpiperidine-4-carboxaldehyde,1-benzy-4-piperidine carboxyaldehyde,1-benzyl-4-piperidinecarbaldehyde,1-benzyl-piperidine-4-carbaldehyde,n-benzyl piperidine-4-carboxaldehyde,4-piperidinecarboxaldehyde, 1-phenylmethyl,n-benzyl-4-formylpiperidine |
| IUPAC Name | 1-benzylpiperidine-4-carbaldehyde |
| InChI Key | SGIBOXBBPQRZDM-UHFFFAOYSA-N |
| Molecular Formula | C13H17NO |
1-Hydrazinophthalazine Hydrochloride 99.0+%, TCI America™
CAS: 304-20-1 Molecular Formula: C8H9ClN4 Molecular Weight (g/mol): 196.638 MDL Number: MFCD00135998 InChI Key: ZUXNZUWOTSUBMN-UHFFFAOYSA-N Synonym: hydralazine hydrochloride,1-hydrazinophthalazine hydrochloride,1-hydrazinylphthalazine hydrochloride,apresoline,aiselazine,hydralazine hcl,hydralazine chloride,hyperazin,hyperex,lopress PubChem CID: 9351 ChEBI: CHEBI:31672 IUPAC Name: phthalazin-1-ylhydrazine;hydrochloride SMILES: C1=CC=C2C(=C1)C=NN=C2NN.Cl
| PubChem CID | 9351 |
|---|---|
| CAS | 304-20-1 |
| Molecular Weight (g/mol) | 196.638 |
| ChEBI | CHEBI:31672 |
| MDL Number | MFCD00135998 |
| SMILES | C1=CC=C2C(=C1)C=NN=C2NN.Cl |
| Synonym | hydralazine hydrochloride,1-hydrazinophthalazine hydrochloride,1-hydrazinylphthalazine hydrochloride,apresoline,aiselazine,hydralazine hcl,hydralazine chloride,hyperazin,hyperex,lopress |
| IUPAC Name | phthalazin-1-ylhydrazine;hydrochloride |
| InChI Key | ZUXNZUWOTSUBMN-UHFFFAOYSA-N |
| Molecular Formula | C8H9ClN4 |
Phenothiazine 98.0+%, TCI America™
CAS: 92-84-2 Molecular Formula: C12H9NS Molecular Weight (g/mol): 199.271 MDL Number: MFCD00005015 InChI Key: WJFKNYWRSNBZNX-UHFFFAOYSA-N Synonym: phenothiazine,thiodiphenylamine,feeno,dibenzothiazine,phenosan,phenthiazine,dibenzo-1,4-thiazine,penthazine,souframine,agrazine PubChem CID: 7108 ChEBI: CHEBI:37931 IUPAC Name: 10H-phenothiazine SMILES: C1=CC=C2C(=C1)NC3=CC=CC=C3S2
| PubChem CID | 7108 |
|---|---|
| CAS | 92-84-2 |
| Molecular Weight (g/mol) | 199.271 |
| ChEBI | CHEBI:37931 |
| MDL Number | MFCD00005015 |
| SMILES | C1=CC=C2C(=C1)NC3=CC=CC=C3S2 |
| Synonym | phenothiazine,thiodiphenylamine,feeno,dibenzothiazine,phenosan,phenthiazine,dibenzo-1,4-thiazine,penthazine,souframine,agrazine |
| IUPAC Name | 10H-phenothiazine |
| InChI Key | WJFKNYWRSNBZNX-UHFFFAOYSA-N |
| Molecular Formula | C12H9NS |
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline 98.0+%, TCI America™
CAS: 210907-84-9 Molecular Formula: C12H18BNO2 Molecular Weight (g/mol): 219.09 MDL Number: MFCD03453668 InChI Key: YMXIIVIQLHYKOT-UHFFFAOYSA-N Synonym: 3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl aniline,3-aminophenylboronic acid pinacol ester,benzenamine, 3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,3-aminophenylboronic acid, pinacol ester,3-tetramethyl-1,3,2-dioxaborolan-2-yl aniline,3-aminobenzeneboronic acid pinacol ester,3-aminophenylboronic acid, pinacol cyclic ester,3-aminophenylboronicacidpinacolester,apbe,amtb060 PubChem CID: 2734655 IUPAC Name: 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline SMILES: CC1(C)OB(OC1(C)C)C1=CC=CC(N)=C1
| PubChem CID | 2734655 |
|---|---|
| CAS | 210907-84-9 |
| Molecular Weight (g/mol) | 219.09 |
| MDL Number | MFCD03453668 |
| SMILES | CC1(C)OB(OC1(C)C)C1=CC=CC(N)=C1 |
| Synonym | 3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl aniline,3-aminophenylboronic acid pinacol ester,benzenamine, 3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,3-aminophenylboronic acid, pinacol ester,3-tetramethyl-1,3,2-dioxaborolan-2-yl aniline,3-aminobenzeneboronic acid pinacol ester,3-aminophenylboronic acid, pinacol cyclic ester,3-aminophenylboronicacidpinacolester,apbe,amtb060 |
| IUPAC Name | 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
| InChI Key | YMXIIVIQLHYKOT-UHFFFAOYSA-N |
| Molecular Formula | C12H18BNO2 |
Piperazine-1,4-bis(2-ethanesulfonic Acid) Monosodium Salt 99.0+%, TCI America™
CAS: 10010-67-0 Molecular Formula: C8H17N2NaO6S2 Molecular Weight (g/mol): 324.34 MDL Number: MFCD00065472 InChI Key: OGGAIRCLBMGXCZ-UHFFFAOYSA-M Synonym: pipes monosodium salt,pipes monosodium,sodium 2-4-2-sulfoethyl piperazin-1-yl ethanesulfonate,1,4-piperazinediethanesulfonic acid, monosodium salt,sodium pipes,pipes sodium salt,piperazine-1,4-diethanesulfonate, sodium salt,unii-4j0k2g9mcw,sodium hydrogen piperazine-1,4-diethanesulphonate,1,4-piperazinediethanesulfonic acid, sodium salt 1:1 PubChem CID: 23670851 ChEBI: CHEBI:63077 IUPAC Name: sodium 2-[4-(2-sulfoethyl)piperazin-1-yl]ethane-1-sulfonate SMILES: [Na+].OS(=O)(=O)CCN1CCN(CCS([O-])(=O)=O)CC1
| PubChem CID | 23670851 |
|---|---|
| CAS | 10010-67-0 |
| Molecular Weight (g/mol) | 324.34 |
| ChEBI | CHEBI:63077 |
| MDL Number | MFCD00065472 |
| SMILES | [Na+].OS(=O)(=O)CCN1CCN(CCS([O-])(=O)=O)CC1 |
| Synonym | pipes monosodium salt,pipes monosodium,sodium 2-4-2-sulfoethyl piperazin-1-yl ethanesulfonate,1,4-piperazinediethanesulfonic acid, monosodium salt,sodium pipes,pipes sodium salt,piperazine-1,4-diethanesulfonate, sodium salt,unii-4j0k2g9mcw,sodium hydrogen piperazine-1,4-diethanesulphonate,1,4-piperazinediethanesulfonic acid, sodium salt 1:1 |
| IUPAC Name | sodium 2-[4-(2-sulfoethyl)piperazin-1-yl]ethane-1-sulfonate |
| InChI Key | OGGAIRCLBMGXCZ-UHFFFAOYSA-M |
| Molecular Formula | C8H17N2NaO6S2 |
5-Hydroxyindole-3-acetic Acid 98.0+%, TCI America™
CAS: 54-16-0 Molecular Formula: C10H9NO3 Molecular Weight (g/mol): 191.186 MDL Number: MFCD00005639 InChI Key: DUUGKQCEGZLZNO-UHFFFAOYSA-N Synonym: 5-hydroxyindole-3-acetic acid,5-hiaa,2-5-hydroxy-1h-indol-3-yl acetic acid,5-hydroxyindoleacetic acid,5-hydroxyheteroauxin,5-hydroxy-1h-indol-3-yl acetic acid,5-oxyindoleacetic acid,hydroxyindoleacetic acid,5-hydroxy-iaa,5-hydroxyindol-3-ylacetic acid PubChem CID: 1826 ChEBI: CHEBI:27823 IUPAC Name: 2-(5-hydroxy-1H-indol-3-yl)acetic acid SMILES: C1=CC2=C(C=C1O)C(=CN2)CC(=O)O
| PubChem CID | 1826 |
|---|---|
| CAS | 54-16-0 |
| Molecular Weight (g/mol) | 191.186 |
| ChEBI | CHEBI:27823 |
| MDL Number | MFCD00005639 |
| SMILES | C1=CC2=C(C=C1O)C(=CN2)CC(=O)O |
| Synonym | 5-hydroxyindole-3-acetic acid,5-hiaa,2-5-hydroxy-1h-indol-3-yl acetic acid,5-hydroxyindoleacetic acid,5-hydroxyheteroauxin,5-hydroxy-1h-indol-3-yl acetic acid,5-oxyindoleacetic acid,hydroxyindoleacetic acid,5-hydroxy-iaa,5-hydroxyindol-3-ylacetic acid |
| IUPAC Name | 2-(5-hydroxy-1H-indol-3-yl)acetic acid |
| InChI Key | DUUGKQCEGZLZNO-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO3 |
3,6-Di-tert-butylcarbazole 98.0+%, TCI America™
CAS: 37500-95-1 Molecular Formula: C20H25N Molecular Weight (g/mol): 279.43 MDL Number: MFCD03425849 InChI Key: OYFFSPILVQLRQA-UHFFFAOYSA-N PubChem CID: 15469209 IUPAC Name: 3,6-di-tert-butyl-9H-carbazole SMILES: CC(C)(C)C1=CC2=C(NC3=C2C=C(C=C3)C(C)(C)C)C=C1
| PubChem CID | 15469209 |
|---|---|
| CAS | 37500-95-1 |
| Molecular Weight (g/mol) | 279.43 |
| MDL Number | MFCD03425849 |
| SMILES | CC(C)(C)C1=CC2=C(NC3=C2C=C(C=C3)C(C)(C)C)C=C1 |
| IUPAC Name | 3,6-di-tert-butyl-9H-carbazole |
| InChI Key | OYFFSPILVQLRQA-UHFFFAOYSA-N |
| Molecular Formula | C20H25N |