Organoheterocyclic compounds
Filtered Search Results
5-Aminouracil, 98%
CAS: 932-52-5 Molecular Formula: C4H5N3O2 Molecular Weight (g/mol): 127.10 MDL Number: MFCD00006025 InChI Key: BISHACNKZIBDFM-UHFFFAOYSA-N Synonym: 5-aminouracil,5-amino-2,4-dihydroxypyrimidine,uracil, 5-amino,2,4 1h,3h-pyrimidinedione, 5-amino,2,4-dihydroxy-5-aminopyrimidine,unii-r2o7eky9g9,r2o7eky9g9,5-aminopyrimidine-2,4-diol,5-amino-1,3-dihydropyrimidine-2,4-dione,wbu PubChem CID: 13611 ChEBI: CHEBI:46348 IUPAC Name: 5-amino-1H-pyrimidine-2,4-dione SMILES: NC1=CNC(=O)NC1=O
| PubChem CID | 13611 |
|---|---|
| CAS | 932-52-5 |
| Molecular Weight (g/mol) | 127.10 |
| ChEBI | CHEBI:46348 |
| MDL Number | MFCD00006025 |
| SMILES | NC1=CNC(=O)NC1=O |
| Synonym | 5-aminouracil,5-amino-2,4-dihydroxypyrimidine,uracil, 5-amino,2,4 1h,3h-pyrimidinedione, 5-amino,2,4-dihydroxy-5-aminopyrimidine,unii-r2o7eky9g9,r2o7eky9g9,5-aminopyrimidine-2,4-diol,5-amino-1,3-dihydropyrimidine-2,4-dione,wbu |
| IUPAC Name | 5-amino-1H-pyrimidine-2,4-dione |
| InChI Key | BISHACNKZIBDFM-UHFFFAOYSA-N |
| Molecular Formula | C4H5N3O2 |
2-Iodo-1-(2-tetrahydropyranyl)-1H-imidazole, 95%
CAS: 1047626-77-6 Molecular Formula: C8H11IN2O Molecular Weight (g/mol): 278.093 MDL Number: MFCD11100955 InChI Key: UWFGOSIGMHYERY-UHFFFAOYSA-N Synonym: 2-iodo-1-tetrahydro-2h-pyran-2-yl-1h-imidazole,2-iodo-1-2-tetrahydropyranyl-1h-imidazole,2-iodo-1-oxan-2-yl imidazole,2-iodo-1-oxan-2-yl-1h-imidazole PubChem CID: 45588154 IUPAC Name: 2-iodo-1-(oxan-2-yl)imidazole SMILES: C1CCOC(C1)N2C=CN=C2I
| PubChem CID | 45588154 |
|---|---|
| CAS | 1047626-77-6 |
| Molecular Weight (g/mol) | 278.093 |
| MDL Number | MFCD11100955 |
| SMILES | C1CCOC(C1)N2C=CN=C2I |
| Synonym | 2-iodo-1-tetrahydro-2h-pyran-2-yl-1h-imidazole,2-iodo-1-2-tetrahydropyranyl-1h-imidazole,2-iodo-1-oxan-2-yl imidazole,2-iodo-1-oxan-2-yl-1h-imidazole |
| IUPAC Name | 2-iodo-1-(oxan-2-yl)imidazole |
| InChI Key | UWFGOSIGMHYERY-UHFFFAOYSA-N |
| Molecular Formula | C8H11IN2O |
Magnesium phthalocyanine, tech. 90%
CAS: 1661-03-6 Molecular Formula: C32H18MgN8O Molecular Weight (g/mol): 554.856 MDL Number: MFCD00041953 InChI Key: HTNHYCHFBSVBID-UHFFFAOYSA-N Synonym: magnesium phthalocyanine PubChem CID: 91872988 SMILES: C1=CC=C2C(=C1)C3=NC4=NC(=NC5=C6C=CC=CC6=C([N-]5)N=C7C8=CC=CC=C8C(=N7)N=C2[N-]3)C9=CC=CC=C94.O.[Mg+2]
| PubChem CID | 91872988 |
|---|---|
| CAS | 1661-03-6 |
| Molecular Weight (g/mol) | 554.856 |
| MDL Number | MFCD00041953 |
| SMILES | C1=CC=C2C(=C1)C3=NC4=NC(=NC5=C6C=CC=CC6=C([N-]5)N=C7C8=CC=CC=C8C(=N7)N=C2[N-]3)C9=CC=CC=C94.O.[Mg+2] |
| Synonym | magnesium phthalocyanine |
| InChI Key | HTNHYCHFBSVBID-UHFFFAOYSA-N |
| Molecular Formula | C32H18MgN8O |
4-[2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)phenyl]morpholine, 97%, Thermo Scientific™
CAS: 906352-77-0 Molecular Formula: C17H23BF3NO3 Molecular Weight (g/mol): 357.18 MDL Number: MFCD09064984 InChI Key: FGPWVOFEKZVCDA-UHFFFAOYSA-N Synonym: 4-2-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-4-trifluoromethyl phenyl morpholine,4-2-tetramethyl-1,3,2-dioxaborolan-2-yl-4-trifluoromethyl phenyl morpholine,2-morpholino-5-trifluoromethylphenylboronic acid pinacol ester,2-morpholin-4-yl-5-trifluoromethyl benzeneboronic acid,pinacol ester PubChem CID: 24229575 IUPAC Name: 4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)phenyl]morpholine SMILES: CC1(C)OB(OC1(C)C)C1=C(C=CC(=C1)C(F)(F)F)N1CCOCC1
| PubChem CID | 24229575 |
|---|---|
| CAS | 906352-77-0 |
| Molecular Weight (g/mol) | 357.18 |
| MDL Number | MFCD09064984 |
| SMILES | CC1(C)OB(OC1(C)C)C1=C(C=CC(=C1)C(F)(F)F)N1CCOCC1 |
| Synonym | 4-2-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-4-trifluoromethyl phenyl morpholine,4-2-tetramethyl-1,3,2-dioxaborolan-2-yl-4-trifluoromethyl phenyl morpholine,2-morpholino-5-trifluoromethylphenylboronic acid pinacol ester,2-morpholin-4-yl-5-trifluoromethyl benzeneboronic acid,pinacol ester |
| IUPAC Name | 4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)phenyl]morpholine |
| InChI Key | FGPWVOFEKZVCDA-UHFFFAOYSA-N |
| Molecular Formula | C17H23BF3NO3 |
tert-Butyl 4-(4-formylbenzyl)piperazine-1-carboxylate, 95%, Thermo Scientific™
CAS: 844891-09-4 Molecular Formula: C17H24N2O3 Molecular Weight (g/mol): 304.39 InChI Key: UMXKYTSTYWRBBK-UHFFFAOYSA-N Synonym: tert-butyl 4-4-formylbenzyl piperazine-1-carboxylate,tert-butyl 4-4-formylphenyl methyl piperazine-1-carboxylate,4-piperazin-4-yl methyl benzaldehyde, n1-boc protected,tert-butyl 4-4-formylbenzyl-1-piperazinecarboxylate,tert-butyl-4-4-formylbenzyl piperazine-1-carboxylate,1-piperazinecarboxylicacid, 4-4-formylphenyl methyl-, 1,1-dimethylethyl ester PubChem CID: 2795517 IUPAC Name: tert-butyl 4-[(4-formylphenyl)methyl]piperazine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC=C(C=C2)C=O
| PubChem CID | 2795517 |
|---|---|
| CAS | 844891-09-4 |
| Molecular Weight (g/mol) | 304.39 |
| SMILES | CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC=C(C=C2)C=O |
| Synonym | tert-butyl 4-4-formylbenzyl piperazine-1-carboxylate,tert-butyl 4-4-formylphenyl methyl piperazine-1-carboxylate,4-piperazin-4-yl methyl benzaldehyde, n1-boc protected,tert-butyl 4-4-formylbenzyl-1-piperazinecarboxylate,tert-butyl-4-4-formylbenzyl piperazine-1-carboxylate,1-piperazinecarboxylicacid, 4-4-formylphenyl methyl-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl 4-[(4-formylphenyl)methyl]piperazine-1-carboxylate |
| InChI Key | UMXKYTSTYWRBBK-UHFFFAOYSA-N |
| Molecular Formula | C17H24N2O3 |
Pentafluoropyridine, 99%
CAS: 700-16-3 Molecular Formula: C5F5N Molecular Weight (g/mol): 169.054 MDL Number: MFCD00006225 InChI Key: XTGOWLIKIQLYRG-UHFFFAOYSA-N Synonym: pentafluoropyridine,perfluoropyridine,pyridine, pentafluoro,pentafluorpyridin,pubchem9299,acmc-1bl6p,2,3,4,5,6-pentafluoro-pyridine PubChem CID: 69690 IUPAC Name: 2,3,4,5,6-pentafluoropyridine SMILES: C1(=C(C(=NC(=C1F)F)F)F)F
| PubChem CID | 69690 |
|---|---|
| CAS | 700-16-3 |
| Molecular Weight (g/mol) | 169.054 |
| MDL Number | MFCD00006225 |
| SMILES | C1(=C(C(=NC(=C1F)F)F)F)F |
| Synonym | pentafluoropyridine,perfluoropyridine,pyridine, pentafluoro,pentafluorpyridin,pubchem9299,acmc-1bl6p,2,3,4,5,6-pentafluoro-pyridine |
| IUPAC Name | 2,3,4,5,6-pentafluoropyridine |
| InChI Key | XTGOWLIKIQLYRG-UHFFFAOYSA-N |
| Molecular Formula | C5F5N |
2-Hydroxypyridine, 98%
CAS: 142-08-5 Molecular Formula: C5H5NO Molecular Weight (g/mol): 95.10 MDL Number: MFCD00006268 InChI Key: UBQKCCHYAOITMY-UHFFFAOYSA-N Synonym: 2-hydroxypyridine,pyridin-2-ol,2-pyridinol,2-pyridone,pyridin-2 1h-one,2 1h-pyridinone,2-pyridinone,2-oxopyridine,2 1h-pyridone,alpha-pyridone PubChem CID: 8871 ChEBI: CHEBI:16540 SMILES: O=C1NC=CC=C1
| PubChem CID | 8871 |
|---|---|
| CAS | 142-08-5 |
| Molecular Weight (g/mol) | 95.10 |
| ChEBI | CHEBI:16540 |
| MDL Number | MFCD00006268 |
| SMILES | O=C1NC=CC=C1 |
| Synonym | 2-hydroxypyridine,pyridin-2-ol,2-pyridinol,2-pyridone,pyridin-2 1h-one,2 1h-pyridinone,2-pyridinone,2-oxopyridine,2 1h-pyridone,alpha-pyridone |
| InChI Key | UBQKCCHYAOITMY-UHFFFAOYSA-N |
| Molecular Formula | C5H5NO |
5-Benzyloxytryptamine hydrochloride, 98%
CAS: 52055-23-9 Molecular Formula: C17H18N2O·HCl Molecular Weight (g/mol): 302.8 MDL Number: MFCD00012685 InChI Key: IUWVJCIEWSQGHH-UHFFFAOYSA-N Synonym: 5-benzyloxytryptamine hydrochloride,5-benzyloxytryptamine hcl,2-5-phenylmethoxy-1h-indol-3-yl ethanamine hydrochloride,cambridge id 5119598,c17h18n2o.hcl,5-benzyloxy-tryptamine hydrochloride,5-benzyloxy tryptamine hydrochloride,5-benzyloxytryptamine hydrochloridyl,3-2-aminoethyl-5-benzyloxyindole hydrochloride PubChem CID: 2828785 IUPAC Name: 2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;hydrochloride SMILES: C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3CCN.Cl
| PubChem CID | 2828785 |
|---|---|
| CAS | 52055-23-9 |
| Molecular Weight (g/mol) | 302.8 |
| MDL Number | MFCD00012685 |
| SMILES | C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3CCN.Cl |
| Synonym | 5-benzyloxytryptamine hydrochloride,5-benzyloxytryptamine hcl,2-5-phenylmethoxy-1h-indol-3-yl ethanamine hydrochloride,cambridge id 5119598,c17h18n2o.hcl,5-benzyloxy-tryptamine hydrochloride,5-benzyloxy tryptamine hydrochloride,5-benzyloxytryptamine hydrochloridyl,3-2-aminoethyl-5-benzyloxyindole hydrochloride |
| IUPAC Name | 2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;hydrochloride |
| InChI Key | IUWVJCIEWSQGHH-UHFFFAOYSA-N |
| Molecular Formula | C17H18N2O·HCl |
7-(2,3-Dihydroxypropyl)theophylline, 99%
CAS: 479-18-5 Molecular Formula: C10H14N4O4 Molecular Weight (g/mol): 254.24 MDL Number: MFCD00005759 InChI Key: KSCFJBIXMNOVSH-UHFFFAOYSA-N Synonym: dyphylline,diprophylline,diphylline,7-2,3-dihydroxypropyl theophylline,diprophyllin,glyphylline,neothylline,lufyllin,aristophyllin,diprofilline PubChem CID: 3182 ChEBI: CHEBI:4728 IUPAC Name: 7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CO)O
| PubChem CID | 3182 |
|---|---|
| CAS | 479-18-5 |
| Molecular Weight (g/mol) | 254.24 |
| ChEBI | CHEBI:4728 |
| MDL Number | MFCD00005759 |
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CO)O |
| Synonym | dyphylline,diprophylline,diphylline,7-2,3-dihydroxypropyl theophylline,diprophyllin,glyphylline,neothylline,lufyllin,aristophyllin,diprofilline |
| IUPAC Name | 7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione |
| InChI Key | KSCFJBIXMNOVSH-UHFFFAOYSA-N |
| Molecular Formula | C10H14N4O4 |
Thiophene-2-carboxylic acid, 99%
CAS: 527-72-0 Molecular Formula: C5H4O2S Molecular Weight (g/mol): 128.15 MDL Number: MFCD00005437 InChI Key: QERYCTSHXKAMIS-UHFFFAOYSA-N Synonym: 2-thiophenecarboxylic acid,2-thenoic acid,2-carboxythiophene,2-thiophenic acid,2-thienylcarboxylic acid,alpha-thiophenecarboxylic acid,2-tca,thiophene-2-carboxylate,tenoic acid,.alpha.-thiophenecarboxylic acid PubChem CID: 10700 ChEBI: CHEBI:71241 IUPAC Name: thiophene-2-carboxylic acid SMILES: OC(=O)C1=CC=CS1
| PubChem CID | 10700 |
|---|---|
| CAS | 527-72-0 |
| Molecular Weight (g/mol) | 128.15 |
| ChEBI | CHEBI:71241 |
| MDL Number | MFCD00005437 |
| SMILES | OC(=O)C1=CC=CS1 |
| Synonym | 2-thiophenecarboxylic acid,2-thenoic acid,2-carboxythiophene,2-thiophenic acid,2-thienylcarboxylic acid,alpha-thiophenecarboxylic acid,2-tca,thiophene-2-carboxylate,tenoic acid,.alpha.-thiophenecarboxylic acid |
| IUPAC Name | thiophene-2-carboxylic acid |
| InChI Key | QERYCTSHXKAMIS-UHFFFAOYSA-N |
| Molecular Formula | C5H4O2S |
1-Boc-4-piperidinemethanol, 97%, Thermo Scientific Chemicals
CAS: 123855-51-6 Molecular Formula: C11H21NO3 Molecular Weight (g/mol): 215.29 MDL Number: MFCD02094488 InChI Key: CTEDVGRUGMPBHE-UHFFFAOYSA-N Synonym: n-boc-4-piperidinemethanol,tert-butyl 4-hydroxymethyl piperidine-1-carboxylate,1-boc-4-piperidinemethanol,n-boc-4-hydroxymethylpiperidine,tert-butyl 4-hydroxymethyl-1-piperidinecarboxylate,1-tert-butoxycarbonyl-4-hydroxymethyl piperidine,1-n-boc-4-hydroxymethyl-piperidine,n-boc-4-hydroxylmethylene-piperidine,1-tert-butoxycarbonyl-4-piperidinemethanol,n-tert-butoxycarbonyl-4-piperidinemethanol PubChem CID: 2764081 IUPAC Name: tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCC(CO)CC1
| PubChem CID | 2764081 |
|---|---|
| CAS | 123855-51-6 |
| Molecular Weight (g/mol) | 215.29 |
| MDL Number | MFCD02094488 |
| SMILES | CC(C)(C)OC(=O)N1CCC(CO)CC1 |
| Synonym | n-boc-4-piperidinemethanol,tert-butyl 4-hydroxymethyl piperidine-1-carboxylate,1-boc-4-piperidinemethanol,n-boc-4-hydroxymethylpiperidine,tert-butyl 4-hydroxymethyl-1-piperidinecarboxylate,1-tert-butoxycarbonyl-4-hydroxymethyl piperidine,1-n-boc-4-hydroxymethyl-piperidine,n-boc-4-hydroxylmethylene-piperidine,1-tert-butoxycarbonyl-4-piperidinemethanol,n-tert-butoxycarbonyl-4-piperidinemethanol |
| IUPAC Name | tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylate |
| InChI Key | CTEDVGRUGMPBHE-UHFFFAOYSA-N |
| Molecular Formula | C11H21NO3 |
3-Methyl-3-oxetanemethanol, 98%
CAS: 3143-02-0 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.13 MDL Number: MFCD00010273 InChI Key: NLQMSBJFLQPLIJ-UHFFFAOYSA-N Synonym: 3-methyl-3-oxetanemethanol,3-methyloxetan-3-yl methanol,3-hydroxymethyl-3-methyloxetane,3-oxetanemethanol, 3-methyl,3-methyl-3-oxetanyl methanol,3-methyloxetane-3-methanol,3-methyl-3-oxethanemethanol,3-methyl-3-hydroxymethyloxetane,3-hydroxymethyl-3-methyl-oxetane,3-methyl-oxetan-3-yl-methanol PubChem CID: 137837 IUPAC Name: (3-methyloxetan-3-yl)methanol SMILES: CC1(COC1)CO
| PubChem CID | 137837 |
|---|---|
| CAS | 3143-02-0 |
| Molecular Weight (g/mol) | 102.13 |
| MDL Number | MFCD00010273 |
| SMILES | CC1(COC1)CO |
| Synonym | 3-methyl-3-oxetanemethanol,3-methyloxetan-3-yl methanol,3-hydroxymethyl-3-methyloxetane,3-oxetanemethanol, 3-methyl,3-methyl-3-oxetanyl methanol,3-methyloxetane-3-methanol,3-methyl-3-oxethanemethanol,3-methyl-3-hydroxymethyloxetane,3-hydroxymethyl-3-methyl-oxetane,3-methyl-oxetan-3-yl-methanol |
| IUPAC Name | (3-methyloxetan-3-yl)methanol |
| InChI Key | NLQMSBJFLQPLIJ-UHFFFAOYSA-N |
| Molecular Formula | C5H10O2 |
4-Cyanopyridine, 98%
CAS: 100-48-1 Molecular Formula: C6H4N2 Molecular Weight (g/mol): 104.112 MDL Number: MFCD00006417 InChI Key: GPHQHTOMRSGBNZ-UHFFFAOYSA-N Synonym: 4-cyanopyridine,isonicotinonitrile,4-pyridinecarbonitrile,isonicotinic acid nitrile,4-pyridinenitrile,4-cyano pyridine,.gamma.-cyanopyridine,gamma-cyanopyridine,p-cyanopyridine,pubchem11155 PubChem CID: 7506 ChEBI: CHEBI:28020 IUPAC Name: pyridine-4-carbonitrile SMILES: C1=CN=CC=C1C#N
| PubChem CID | 7506 |
|---|---|
| CAS | 100-48-1 |
| Molecular Weight (g/mol) | 104.112 |
| ChEBI | CHEBI:28020 |
| MDL Number | MFCD00006417 |
| SMILES | C1=CN=CC=C1C#N |
| Synonym | 4-cyanopyridine,isonicotinonitrile,4-pyridinecarbonitrile,isonicotinic acid nitrile,4-pyridinenitrile,4-cyano pyridine,.gamma.-cyanopyridine,gamma-cyanopyridine,p-cyanopyridine,pubchem11155 |
| IUPAC Name | pyridine-4-carbonitrile |
| InChI Key | GPHQHTOMRSGBNZ-UHFFFAOYSA-N |
| Molecular Formula | C6H4N2 |
2-Bromoquinoline, 96%
CAS: 2005-43-8 Molecular Formula: C9H6BrN Molecular Weight (g/mol): 208.06 MDL Number: MFCD00234480 InChI Key: QKJAZPHKNWSXDF-UHFFFAOYSA-N Synonym: quinoline, 2-bromo,bromoquinoline,pubchem21827,acmc-1cfcf,2-bromoquinoline,ksc201o8j,2-bromoquinoline 1g,abbypharma ap-12-10890 PubChem CID: 2762756 IUPAC Name: 2-bromoquinoline SMILES: BrC1=CC=C2C=CC=CC2=N1
| PubChem CID | 2762756 |
|---|---|
| CAS | 2005-43-8 |
| Molecular Weight (g/mol) | 208.06 |
| MDL Number | MFCD00234480 |
| SMILES | BrC1=CC=C2C=CC=CC2=N1 |
| Synonym | quinoline, 2-bromo,bromoquinoline,pubchem21827,acmc-1cfcf,2-bromoquinoline,ksc201o8j,2-bromoquinoline 1g,abbypharma ap-12-10890 |
| IUPAC Name | 2-bromoquinoline |
| InChI Key | QKJAZPHKNWSXDF-UHFFFAOYSA-N |
| Molecular Formula | C9H6BrN |
5-Bromo-2-methylpyrimidine, 98%
CAS: 7752-78-5 Molecular Formula: C5H5BrN2 Molecular Weight (g/mol): 173.013 MDL Number: MFCD07375143 InChI Key: NEDJTEXNSTUKHW-UHFFFAOYSA-N Synonym: 5-bromo-2-methyl-pyrimidine,2-methyl-5-bromopyrimidine,pyrimidine, 5-bromo-2-methyl,5-bromo-2-methyl-1,3-diazine,pubchem15231,acmc-1bm3h,5-bromo-2-methyl pyrimidine PubChem CID: 14387744 IUPAC Name: 5-bromo-2-methylpyrimidine SMILES: CC1=NC=C(C=N1)Br
| PubChem CID | 14387744 |
|---|---|
| CAS | 7752-78-5 |
| Molecular Weight (g/mol) | 173.013 |
| MDL Number | MFCD07375143 |
| SMILES | CC1=NC=C(C=N1)Br |
| Synonym | 5-bromo-2-methyl-pyrimidine,2-methyl-5-bromopyrimidine,pyrimidine, 5-bromo-2-methyl,5-bromo-2-methyl-1,3-diazine,pubchem15231,acmc-1bm3h,5-bromo-2-methyl pyrimidine |
| IUPAC Name | 5-bromo-2-methylpyrimidine |
| InChI Key | NEDJTEXNSTUKHW-UHFFFAOYSA-N |
| Molecular Formula | C5H5BrN2 |