Organoheterocyclic compounds
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(+)-Cinchonine, 98+%, cont. up to 3% quinidine/dihydroquinidine and 3% quinine/dihydroquinine
CAS: 118-10-5 Molecular Formula: C19H22N2O Molecular Weight (g/mol): 294.40 MDL Number: MFCD00064372 InChI Key: KMPWYEUPVWOPIM-FRYPIZGFNA-N Synonym: +-quinolin-4-yl 5-vinylquinuclidin-2-yl methanol,5r-5-vinylquinuclidin-2-yl 1s-4-quinolylmethan-1-ol PubChem CID: 21862290 IUPAC Name: [(5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol SMILES: [H][C@@]1(CN2CCC1C[C@]2([H])[C@@H](O)C1=CC=NC2=CC=CC=C12)C=C
| PubChem CID | 21862290 |
|---|---|
| CAS | 118-10-5 |
| Molecular Weight (g/mol) | 294.40 |
| MDL Number | MFCD00064372 |
| SMILES | [H][C@@]1(CN2CCC1C[C@]2([H])[C@@H](O)C1=CC=NC2=CC=CC=C12)C=C |
| Synonym | +-quinolin-4-yl 5-vinylquinuclidin-2-yl methanol,5r-5-vinylquinuclidin-2-yl 1s-4-quinolylmethan-1-ol |
| IUPAC Name | [(5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol |
| InChI Key | KMPWYEUPVWOPIM-FRYPIZGFNA-N |
| Molecular Formula | C19H22N2O |
3,4-(Methylenedioxy)benzylideneacetone, 98%
CAS: 3160-37-0 Molecular Formula: C11H10O3 Molecular Weight (g/mol): 190.198 MDL Number: MFCD00016907 InChI Key: XIYPXOFSURQTTJ-NSCUHMNNSA-N Synonym: piperonalacetone,heliotropyl acetone,acetone, piperonylidene,piperonylideneacetone,piperonylidene acetone,unii-t43byj64eg,3-buten-2-one, 4-1,3-benzodioxol-5-yl,ccris 6270,3,4-methylenedioxy benzalacetone,3,4-methylenedioxy benzylideneacetone PubChem CID: 6040503 IUPAC Name: (E)-4-(1,3-benzodioxol-5-yl)but-3-en-2-one SMILES: CC(=O)C=CC1=CC2=C(C=C1)OCO2
| PubChem CID | 6040503 |
|---|---|
| CAS | 3160-37-0 |
| Molecular Weight (g/mol) | 190.198 |
| MDL Number | MFCD00016907 |
| SMILES | CC(=O)C=CC1=CC2=C(C=C1)OCO2 |
| Synonym | piperonalacetone,heliotropyl acetone,acetone, piperonylidene,piperonylideneacetone,piperonylidene acetone,unii-t43byj64eg,3-buten-2-one, 4-1,3-benzodioxol-5-yl,ccris 6270,3,4-methylenedioxy benzalacetone,3,4-methylenedioxy benzylideneacetone |
| IUPAC Name | (E)-4-(1,3-benzodioxol-5-yl)but-3-en-2-one |
| InChI Key | XIYPXOFSURQTTJ-NSCUHMNNSA-N |
| Molecular Formula | C11H10O3 |
5,5-Dimethyl-1,3-dioxan-2-one, tech.
CAS: 3592-12-9 Molecular Formula: C6H10O3 Molecular Weight (g/mol): 130.14 MDL Number: MFCD00014650 InChI Key: JRFXQKZEGILCCO-UHFFFAOYSA-N Synonym: neopentylene carbonate,2,2-dimethyltrimethylene carbonate,5,5-dimethyl-1,3-diox-2-one,acmc-1adx1,3-nitro-5-chlorobenzenesulfonamide,5,5-dimethyltrimethylene carbonate,5,5-dimethyl-1,3-dioxane-2-one,5,5-dimethyl-2-oxo-1,3-dioxane,1,3-dioxan-2-one,5,5-dimethyl,5,5-dimethyl-1,3 dioxan-2-one PubChem CID: 137984 IUPAC Name: 5,5-dimethyl-1,3-dioxan-2-one SMILES: CC1(COC(=O)OC1)C
| PubChem CID | 137984 |
|---|---|
| CAS | 3592-12-9 |
| Molecular Weight (g/mol) | 130.14 |
| MDL Number | MFCD00014650 |
| SMILES | CC1(COC(=O)OC1)C |
| Synonym | neopentylene carbonate,2,2-dimethyltrimethylene carbonate,5,5-dimethyl-1,3-diox-2-one,acmc-1adx1,3-nitro-5-chlorobenzenesulfonamide,5,5-dimethyltrimethylene carbonate,5,5-dimethyl-1,3-dioxane-2-one,5,5-dimethyl-2-oxo-1,3-dioxane,1,3-dioxan-2-one,5,5-dimethyl,5,5-dimethyl-1,3 dioxan-2-one |
| IUPAC Name | 5,5-dimethyl-1,3-dioxan-2-one |
| InChI Key | JRFXQKZEGILCCO-UHFFFAOYSA-N |
| Molecular Formula | C6H10O3 |
2,4,5-Trimethyloxazole, 97%
CAS: 20662-84-4 Molecular Formula: C6H9NO Molecular Weight (g/mol): 111.144 MDL Number: MFCD00005308 InChI Key: ZRLDBDZSLLGDOX-UHFFFAOYSA-N Synonym: 2,4,5-trimethyloxazole,trimethyloxazole,oxazole, trimethyl,unii-b04pf51wxi,2,4,5-trimethyl oxazole,trimethyl-1,3-oxazole,b04pf51wxi,oxazole, 2,4,5-trimethyl,trimethyl-oxazole,pubchem8636 PubChem CID: 30215 IUPAC Name: 2,4,5-trimethyl-1,3-oxazole SMILES: CC1=C(OC(=N1)C)C
| PubChem CID | 30215 |
|---|---|
| CAS | 20662-84-4 |
| Molecular Weight (g/mol) | 111.144 |
| MDL Number | MFCD00005308 |
| SMILES | CC1=C(OC(=N1)C)C |
| Synonym | 2,4,5-trimethyloxazole,trimethyloxazole,oxazole, trimethyl,unii-b04pf51wxi,2,4,5-trimethyl oxazole,trimethyl-1,3-oxazole,b04pf51wxi,oxazole, 2,4,5-trimethyl,trimethyl-oxazole,pubchem8636 |
| IUPAC Name | 2,4,5-trimethyl-1,3-oxazole |
| InChI Key | ZRLDBDZSLLGDOX-UHFFFAOYSA-N |
| Molecular Formula | C6H9NO |
Ethyl isonicotinate, 98%
CAS: 1570-45-2 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.165 MDL Number: MFCD00006428 InChI Key: MCRPKBUFXAKDKI-UHFFFAOYSA-N Synonym: ethyl isonicotinate,4-picolinic acid ethyl ester,ethyl 4-pyridinecarboxylate,isonicotinic acid, ethyl ester,4-carbethoxypyridine,4-pyridinecarboxylic acid, ethyl ester,isonicotinic acid ethyl ester,4-carboethoxypyridine,gamma-pyridinecarboxylic acid ethyl ester,.gamma.-pyridinecarboxylic acid ethyl ester PubChem CID: 15291 IUPAC Name: ethyl pyridine-4-carboxylate SMILES: CCOC(=O)C1=CC=NC=C1
| PubChem CID | 15291 |
|---|---|
| CAS | 1570-45-2 |
| Molecular Weight (g/mol) | 151.165 |
| MDL Number | MFCD00006428 |
| SMILES | CCOC(=O)C1=CC=NC=C1 |
| Synonym | ethyl isonicotinate,4-picolinic acid ethyl ester,ethyl 4-pyridinecarboxylate,isonicotinic acid, ethyl ester,4-carbethoxypyridine,4-pyridinecarboxylic acid, ethyl ester,isonicotinic acid ethyl ester,4-carboethoxypyridine,gamma-pyridinecarboxylic acid ethyl ester,.gamma.-pyridinecarboxylic acid ethyl ester |
| IUPAC Name | ethyl pyridine-4-carboxylate |
| InChI Key | MCRPKBUFXAKDKI-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO2 |
exo-7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylic anhydride, 98%
CAS: 29745-04-8 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.148 MDL Number: MFCD00213361 InChI Key: JAABVEXCGCXWRR-GUCUJZIJSA-N Synonym: exo-3,6-Epoxyhexahydrophthalic anhydride; Norcantharadin PubChem CID: 12251906 SMILES: C1CC2C3C(C1O2)C(=O)OC3=O
| PubChem CID | 12251906 |
|---|---|
| CAS | 29745-04-8 |
| Molecular Weight (g/mol) | 168.148 |
| MDL Number | MFCD00213361 |
| SMILES | C1CC2C3C(C1O2)C(=O)OC3=O |
| Synonym | exo-3,6-Epoxyhexahydrophthalic anhydride; Norcantharadin |
| InChI Key | JAABVEXCGCXWRR-GUCUJZIJSA-N |
| Molecular Formula | C8H8O4 |
2-Methyl-8-nitroquinoline, 98%
CAS: 881-07-2 Molecular Formula: C10H8N2O2 Molecular Weight (g/mol): 188.19 MDL Number: MFCD00006764 InChI Key: UHPGVDHXHDPYQP-UHFFFAOYSA-N PubChem CID: 13433 IUPAC Name: 2-methyl-8-nitroquinoline SMILES: CC1=CC=C2C=CC=C(C2=N1)[N+]([O-])=O
| PubChem CID | 13433 |
|---|---|
| CAS | 881-07-2 |
| Molecular Weight (g/mol) | 188.19 |
| MDL Number | MFCD00006764 |
| SMILES | CC1=CC=C2C=CC=C(C2=N1)[N+]([O-])=O |
| IUPAC Name | 2-methyl-8-nitroquinoline |
| InChI Key | UHPGVDHXHDPYQP-UHFFFAOYSA-N |
| Molecular Formula | C10H8N2O2 |
2,3-Lutidine, 99%
CAS: 583-61-9 Molecular Formula: C7H9N Molecular Weight (g/mol): 107.156 MDL Number: MFCD00009605 InChI Key: HPYNZHMRTTWQTB-UHFFFAOYSA-N Synonym: 2,3-lutidine,pyridine, 2,3-dimethyl,pyridine, dimethyl,dimethylpyridine,unii-5q0f649h6g,2,3-dimethyl-pyridine,2-3-lutidine,pyridine,3-dimethyl,2,3-d1methylpyridine,pubchem20520 PubChem CID: 11420 IUPAC Name: 2,3-dimethylpyridine SMILES: CC1=C(N=CC=C1)C
| PubChem CID | 11420 |
|---|---|
| CAS | 583-61-9 |
| Molecular Weight (g/mol) | 107.156 |
| MDL Number | MFCD00009605 |
| SMILES | CC1=C(N=CC=C1)C |
| Synonym | 2,3-lutidine,pyridine, 2,3-dimethyl,pyridine, dimethyl,dimethylpyridine,unii-5q0f649h6g,2,3-dimethyl-pyridine,2-3-lutidine,pyridine,3-dimethyl,2,3-d1methylpyridine,pubchem20520 |
| IUPAC Name | 2,3-dimethylpyridine |
| InChI Key | HPYNZHMRTTWQTB-UHFFFAOYSA-N |
| Molecular Formula | C7H9N |
2-Picoline N-oxide, 98%
CAS: 931-19-1 Molecular Formula: C6H7NO Molecular Weight (g/mol): 109.128 MDL Number: MFCD00006199 InChI Key: CFZKDDTWZYUZKS-UHFFFAOYSA-N Synonym: 2-picoline-n-oxide,2-methylpyridine 1-oxide,2-methylpyridine n-oxide,picoline n-oxide,2-picoline n-oxide,methylpyridine 1-oxide,alpha-picoline n-oxide,pyridine, 2-methyl-, 1-oxide,2-picoline, 1-oxide,picoline 1-oxide PubChem CID: 13602 ChEBI: CHEBI:35578 IUPAC Name: 2-methyl-1-oxidopyridin-1-ium SMILES: CC1=CC=CC=[N+]1[O-]
| PubChem CID | 13602 |
|---|---|
| CAS | 931-19-1 |
| Molecular Weight (g/mol) | 109.128 |
| ChEBI | CHEBI:35578 |
| MDL Number | MFCD00006199 |
| SMILES | CC1=CC=CC=[N+]1[O-] |
| Synonym | 2-picoline-n-oxide,2-methylpyridine 1-oxide,2-methylpyridine n-oxide,picoline n-oxide,2-picoline n-oxide,methylpyridine 1-oxide,alpha-picoline n-oxide,pyridine, 2-methyl-, 1-oxide,2-picoline, 1-oxide,picoline 1-oxide |
| IUPAC Name | 2-methyl-1-oxidopyridin-1-ium |
| InChI Key | CFZKDDTWZYUZKS-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO |
Methyl 5-amino-2-furoate, 98%
CAS: 22600-30-2 Molecular Formula: C6H7NO3 Molecular Weight (g/mol): 141.126 MDL Number: MFCD00051661 InChI Key: KLKQGSISBRVCTK-UHFFFAOYSA-N Synonym: methyl 5-amino-2-furoate,methyl5-amino-2-furoate,5-aminofuran-2-carboxylic acid methyl ester,methyl 5-amino-2-furancarboxylate,2-furancarboxylic acid, 5-amino-, methyl ester,methyl 5-amino-2-furate,acmc-1cq6f,methyl-2-amino-5-furoate,2-amino-5-methoxycarbonylfuran,methyl5-aminofuran-2-carboxylate PubChem CID: 5072225 IUPAC Name: methyl 5-aminofuran-2-carboxylate SMILES: COC(=O)C1=CC=C(O1)N
| PubChem CID | 5072225 |
|---|---|
| CAS | 22600-30-2 |
| Molecular Weight (g/mol) | 141.126 |
| MDL Number | MFCD00051661 |
| SMILES | COC(=O)C1=CC=C(O1)N |
| Synonym | methyl 5-amino-2-furoate,methyl5-amino-2-furoate,5-aminofuran-2-carboxylic acid methyl ester,methyl 5-amino-2-furancarboxylate,2-furancarboxylic acid, 5-amino-, methyl ester,methyl 5-amino-2-furate,acmc-1cq6f,methyl-2-amino-5-furoate,2-amino-5-methoxycarbonylfuran,methyl5-aminofuran-2-carboxylate |
| IUPAC Name | methyl 5-aminofuran-2-carboxylate |
| InChI Key | KLKQGSISBRVCTK-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO3 |
6-Chloropiperonyl alcohol, 98%
CAS: 2591-25-5 Molecular Formula: C8H7ClO3 Molecular Weight (g/mol): 186.591 MDL Number: MFCD00051727 InChI Key: ADHYYNHCXPPVHQ-UHFFFAOYSA-N Synonym: 6-chloropiperonyl alcohol,6-chloro-2h-1,3-benzodioxol-5-yl methanol,6-chlorobenzo d 1,3 dioxol-5-yl methanol,6-chloro-1,3-benzodioxol-5-yl methanol,2-chlor-4,5-methylendioxy-benzylalkohol,6-chloro-3,4-methylenedioxybenzyl alcohol,6-chloro-2h-benzo d 1,3-dioxolen-5-yl methan-1-ol PubChem CID: 7015319 IUPAC Name: (6-chloro-1,3-benzodioxol-5-yl)methanol SMILES: C1OC2=C(O1)C=C(C(=C2)CO)Cl
| PubChem CID | 7015319 |
|---|---|
| CAS | 2591-25-5 |
| Molecular Weight (g/mol) | 186.591 |
| MDL Number | MFCD00051727 |
| SMILES | C1OC2=C(O1)C=C(C(=C2)CO)Cl |
| Synonym | 6-chloropiperonyl alcohol,6-chloro-2h-1,3-benzodioxol-5-yl methanol,6-chlorobenzo d 1,3 dioxol-5-yl methanol,6-chloro-1,3-benzodioxol-5-yl methanol,2-chlor-4,5-methylendioxy-benzylalkohol,6-chloro-3,4-methylenedioxybenzyl alcohol,6-chloro-2h-benzo d 1,3-dioxolen-5-yl methan-1-ol |
| IUPAC Name | (6-chloro-1,3-benzodioxol-5-yl)methanol |
| InChI Key | ADHYYNHCXPPVHQ-UHFFFAOYSA-N |
| Molecular Formula | C8H7ClO3 |
3-Chloro-6-hydrazinopyridazine, 98%
CAS: 17284-97-8 Molecular Formula: C4H5ClN4 Molecular Weight (g/mol): 144.562 MDL Number: MFCD00051740 InChI Key: FXYQRYGWWZKUFV-UHFFFAOYSA-N Synonym: 3-chloro-6-hydrazinopyridazine,3-chloro-6-hydrazinylpyridazine,3-chloropyridazin-6-yl hydrazine,1-6-chloropyridazin-3-yl hydrazine,6-chloro-pyridazin-3-yl-hydrazine,3-chloro-6-hydrazino-pyridazine,6-chloropyridazin-3-yl hydrazine,3 2h-pyridazinone, 6-chloro-, hydrazone,6-chloropyridazine-3-ylhydrazine,6-chloro-3-pyridazinyl hydrazine PubChem CID: 100787 IUPAC Name: (6-chloropyridazin-3-yl)hydrazine SMILES: C1=CC(=NN=C1NN)Cl
| PubChem CID | 100787 |
|---|---|
| CAS | 17284-97-8 |
| Molecular Weight (g/mol) | 144.562 |
| MDL Number | MFCD00051740 |
| SMILES | C1=CC(=NN=C1NN)Cl |
| Synonym | 3-chloro-6-hydrazinopyridazine,3-chloro-6-hydrazinylpyridazine,3-chloropyridazin-6-yl hydrazine,1-6-chloropyridazin-3-yl hydrazine,6-chloro-pyridazin-3-yl-hydrazine,3-chloro-6-hydrazino-pyridazine,6-chloropyridazin-3-yl hydrazine,3 2h-pyridazinone, 6-chloro-, hydrazone,6-chloropyridazine-3-ylhydrazine,6-chloro-3-pyridazinyl hydrazine |
| IUPAC Name | (6-chloropyridazin-3-yl)hydrazine |
| InChI Key | FXYQRYGWWZKUFV-UHFFFAOYSA-N |
| Molecular Formula | C4H5ClN4 |
1,2,7,8-Diepoxyoctane, 97%, Thermo Scientific Chemicals
CAS: 2426-07-5 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.20 MDL Number: MFCD00005155 InChI Key: LFKLPJRVSHJZPL-UHFFFAOYNA-N Synonym: 1,2,7,8-diepoxyoctane,1,2:7,8-diepoxyoctane,1,7-octadiene diepoxide,oxirane, 2,2'-1,4-butanediyl bis,1,2-epoxy-7,8-epoxyoctane,2,2'-1,4-butanediyl bisoxirane,1,4-di oxiran-2-yl butane,octane, 1,2:7,8-diepoxy,2-4-oxiran-2-yl butyl oxirane,ccris 963 PubChem CID: 17048 ChEBI: CHEBI:23705 IUPAC Name: 2-[4-(oxiran-2-yl)butyl]oxirane SMILES: C1C(O1)CCCCC2CO2
| PubChem CID | 17048 |
|---|---|
| CAS | 2426-07-5 |
| Molecular Weight (g/mol) | 142.20 |
| ChEBI | CHEBI:23705 |
| MDL Number | MFCD00005155 |
| SMILES | C1C(O1)CCCCC2CO2 |
| Synonym | 1,2,7,8-diepoxyoctane,1,2:7,8-diepoxyoctane,1,7-octadiene diepoxide,oxirane, 2,2'-1,4-butanediyl bis,1,2-epoxy-7,8-epoxyoctane,2,2'-1,4-butanediyl bisoxirane,1,4-di oxiran-2-yl butane,octane, 1,2:7,8-diepoxy,2-4-oxiran-2-yl butyl oxirane,ccris 963 |
| IUPAC Name | 2-[4-(oxiran-2-yl)butyl]oxirane |
| InChI Key | LFKLPJRVSHJZPL-UHFFFAOYNA-N |
| Molecular Formula | C8H14O2 |
2-Amino-4-chloro-6-methylpyrimidine, 98%
CAS: 5600-21-5 Molecular Formula: C5H6ClN3 Molecular Weight (g/mol): 143.574 MDL Number: MFCD00006091 InChI Key: NPTGVVKPLWFPPX-UHFFFAOYSA-N Synonym: 2-amino-4-chloro-6-methylpyrimidine,am inhibitor,am pesticide,prepn. am,4-chloro-6-methyl-2-pyrimidinamine,4-chloro-6-methylpyrimidin-2-ylamine,2-pyrimidinamine, 4-chloro-6-methyl,am nitrification inhibitor,pyrimidine, 2-amino-4-chloro-6-methyl,2-amino-6-chloro-4-methylpyrimidine PubChem CID: 21810 ChEBI: CHEBI:58960 IUPAC Name: 4-chloro-6-methylpyrimidin-2-amine SMILES: CC1=CC(=NC(=N1)N)Cl
| PubChem CID | 21810 |
|---|---|
| CAS | 5600-21-5 |
| Molecular Weight (g/mol) | 143.574 |
| ChEBI | CHEBI:58960 |
| MDL Number | MFCD00006091 |
| SMILES | CC1=CC(=NC(=N1)N)Cl |
| Synonym | 2-amino-4-chloro-6-methylpyrimidine,am inhibitor,am pesticide,prepn. am,4-chloro-6-methyl-2-pyrimidinamine,4-chloro-6-methylpyrimidin-2-ylamine,2-pyrimidinamine, 4-chloro-6-methyl,am nitrification inhibitor,pyrimidine, 2-amino-4-chloro-6-methyl,2-amino-6-chloro-4-methylpyrimidine |
| IUPAC Name | 4-chloro-6-methylpyrimidin-2-amine |
| InChI Key | NPTGVVKPLWFPPX-UHFFFAOYSA-N |
| Molecular Formula | C5H6ClN3 |
3-Hydroxy-6-methyl-2-nitropyridine, 99%
CAS: 15128-90-2 Molecular Formula: C6H6N2O3 Molecular Weight (g/mol): 154.125 MDL Number: MFCD00006259 InChI Key: WZMGQHIBXUAYGS-UHFFFAOYSA-N PubChem CID: 84801 SMILES: CC1=NC(=C(C=C1)O)[N+](=O)[O-]
| PubChem CID | 84801 |
|---|---|
| CAS | 15128-90-2 |
| Molecular Weight (g/mol) | 154.125 |
| MDL Number | MFCD00006259 |
| SMILES | CC1=NC(=C(C=C1)O)[N+](=O)[O-] |
| InChI Key | WZMGQHIBXUAYGS-UHFFFAOYSA-N |
| Molecular Formula | C6H6N2O3 |