Organoheterocyclic compounds
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1,3-Diisopropylimidazolium chloride, 97+%
CAS: 139143-09-2 Molecular Formula: C9H17ClN2 Molecular Weight (g/mol): 188.70 MDL Number: MFCD03840577 InChI Key: DOFXKPAOJLLPII-UHFFFAOYSA-M Synonym: 1,3-diisopropylimidazolium chloride,1,3-di-i-propylimidazolium chloride,1,3-diisopropyl-1h-imidazol-3-ium chloride,1,3-diisopropylimidazol-1-ium chloride,diic,acmc-20ap45,n,n'-isopropyl imidazolium chloride,1h-imidazolium,1,3-bis 1-methylethyl-, chloride 1:1,n,n inverted exclamation marka-isopropyl imidazolium chloride PubChem CID: 11229242 IUPAC Name: 1,3-di(propan-2-yl)imidazol-1-ium;chloride SMILES: [Cl-].CC(C)N1C=C[N+](=C1)C(C)C
| PubChem CID | 11229242 |
|---|---|
| CAS | 139143-09-2 |
| Molecular Weight (g/mol) | 188.70 |
| MDL Number | MFCD03840577 |
| SMILES | [Cl-].CC(C)N1C=C[N+](=C1)C(C)C |
| Synonym | 1,3-diisopropylimidazolium chloride,1,3-di-i-propylimidazolium chloride,1,3-diisopropyl-1h-imidazol-3-ium chloride,1,3-diisopropylimidazol-1-ium chloride,diic,acmc-20ap45,n,n'-isopropyl imidazolium chloride,1h-imidazolium,1,3-bis 1-methylethyl-, chloride 1:1,n,n inverted exclamation marka-isopropyl imidazolium chloride |
| IUPAC Name | 1,3-di(propan-2-yl)imidazol-1-ium;chloride |
| InChI Key | DOFXKPAOJLLPII-UHFFFAOYSA-M |
| Molecular Formula | C9H17ClN2 |
6,6-Dimethyl-5,7-dioxaspiro[2.5]octane-4,8-dione, 99%, Thermo Scientific Chemicals
CAS: 5617-70-9 Molecular Formula: C8H10O4 Molecular Weight (g/mol): 170.16 MDL Number: MFCD00042796 InChI Key: AXJVPXNVESYGDT-UHFFFAOYSA-N Synonym: 6,6-dimethyl-5,7-dioxaspiro 2.5 octane-4,8-dione,cycl-isopropylidene cyclopropane-1,1-dicarboxylate,5,7-dioxaspiro 2.5 octane-4,8-dione, 6,6-dimethyl,5,7-dioxaspiro 2.5 octane-4,8-dione,6,6-dimethyl,6,6-dimethyl-5,7-dioxaspiro 2,5 octane-4,8-dione,acmc-1az6b,isopropylidene cyclopropane-1,1-dicarboxylate,cyclic isopropylidene 1,1-cyclopropanedicarboxylate PubChem CID: 79720 IUPAC Name: 6,6-dimethyl-5,7-dioxaspiro[2.5]octane-4,8-dione SMILES: CC1(C)OC(=O)C2(CC2)C(=O)O1
| PubChem CID | 79720 |
|---|---|
| CAS | 5617-70-9 |
| Molecular Weight (g/mol) | 170.16 |
| MDL Number | MFCD00042796 |
| SMILES | CC1(C)OC(=O)C2(CC2)C(=O)O1 |
| Synonym | 6,6-dimethyl-5,7-dioxaspiro 2.5 octane-4,8-dione,cycl-isopropylidene cyclopropane-1,1-dicarboxylate,5,7-dioxaspiro 2.5 octane-4,8-dione, 6,6-dimethyl,5,7-dioxaspiro 2.5 octane-4,8-dione,6,6-dimethyl,6,6-dimethyl-5,7-dioxaspiro 2,5 octane-4,8-dione,acmc-1az6b,isopropylidene cyclopropane-1,1-dicarboxylate,cyclic isopropylidene 1,1-cyclopropanedicarboxylate |
| IUPAC Name | 6,6-dimethyl-5,7-dioxaspiro[2.5]octane-4,8-dione |
| InChI Key | AXJVPXNVESYGDT-UHFFFAOYSA-N |
| Molecular Formula | C8H10O4 |
2,3-Dichloropyridine, 99%
CAS: 2402-77-9 Molecular Formula: C5H3Cl2N Molecular Weight (g/mol): 147.99 MDL Number: MFCD00006229 InChI Key: MAKFMOSBBNKPMS-UHFFFAOYSA-N Synonym: 2,3-dichloro-pyridine,pyridine, 2,3-dichloro,dichloropyridine,pyridine, dichloro,ccris 1726,2,3-dichloro pyridine,pubchem1198,pyridine,3-dichloro,2.3-dichloro-pyridine,acmc-209g7x PubChem CID: 16988 IUPAC Name: 2,3-dichloropyridine SMILES: ClC1=CC=CN=C1Cl
| PubChem CID | 16988 |
|---|---|
| CAS | 2402-77-9 |
| Molecular Weight (g/mol) | 147.99 |
| MDL Number | MFCD00006229 |
| SMILES | ClC1=CC=CN=C1Cl |
| Synonym | 2,3-dichloro-pyridine,pyridine, 2,3-dichloro,dichloropyridine,pyridine, dichloro,ccris 1726,2,3-dichloro pyridine,pubchem1198,pyridine,3-dichloro,2.3-dichloro-pyridine,acmc-209g7x |
| IUPAC Name | 2,3-dichloropyridine |
| InChI Key | MAKFMOSBBNKPMS-UHFFFAOYSA-N |
| Molecular Formula | C5H3Cl2N |
2-(3-Methyl-1,2,4-oxadiazol-5-yl)benzoic acid, 97%, Thermo Scientific™
CAS: 475105-77-2 Molecular Formula: C10H8N2O3 Molecular Weight (g/mol): 204.185 MDL Number: MFCD08741426 InChI Key: JHLHKCWPDVKWNS-UHFFFAOYSA-N Synonym: 2-3-methyl-1,2,4-oxadiazol-5-yl benzoic acid,benzoic acid,2-3-methyl-1,2,4-oxadiazol-5-yl,5-2-carboxyphenyl-3-methyl-1,2,4-oxadiazole,2-3-methyl-1,2,4 oxadiazol-5-yl-benzoic acid,2-3-methyl-1,2,4 oxadiazol-5-yl benzoic acid,benzoic acid, 2-3-methyl-1,2,4-oxadiazol-5-yl PubChem CID: 23146305 IUPAC Name: 2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoic acid SMILES: CC1=NOC(=N1)C2=CC=CC=C2C(=O)O
| PubChem CID | 23146305 |
|---|---|
| CAS | 475105-77-2 |
| Molecular Weight (g/mol) | 204.185 |
| MDL Number | MFCD08741426 |
| SMILES | CC1=NOC(=N1)C2=CC=CC=C2C(=O)O |
| Synonym | 2-3-methyl-1,2,4-oxadiazol-5-yl benzoic acid,benzoic acid,2-3-methyl-1,2,4-oxadiazol-5-yl,5-2-carboxyphenyl-3-methyl-1,2,4-oxadiazole,2-3-methyl-1,2,4 oxadiazol-5-yl-benzoic acid,2-3-methyl-1,2,4 oxadiazol-5-yl benzoic acid,benzoic acid, 2-3-methyl-1,2,4-oxadiazol-5-yl |
| IUPAC Name | 2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoic acid |
| InChI Key | JHLHKCWPDVKWNS-UHFFFAOYSA-N |
| Molecular Formula | C10H8N2O3 |
1-Boc-6-cyanoindole-2-boronic acid, 96%
CAS: 913835-67-3 Molecular Formula: C14H15BN2O4 Molecular Weight (g/mol): 286.09 MDL Number: MFCD08436056 InChI Key: CZEBTZMIQZVUSE-UHFFFAOYSA-N Synonym: 1-boc-6-cyanoindole-2-boronic acid,1-tert-butoxycarbonyl-6-cyano-1h-indol-2-yl boronic acid,1-tert-butoxycarbonyl-6-cyano-1h-indole-2-boronic acid,6-cyano-1h-indole-2-boronic acid, n-boc protected,1-tert-butoxycarbonyl-6-cyanoindol-2-ylboronic acid,acmc-209r9t,6-cyano-1h-indol-2-ylboronic acid, n-boc protected,1-tert-butoxycarbonyl-6-cyano-1h-indol-2-yl boronicacid,1-tert-butoxycarbonyl-2-dihydroxyboryl-1h-indole-6-carbonitrile PubChem CID: 44119347 IUPAC Name: [6-cyano-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid SMILES: CC(C)(C)OC(=O)N1C(=CC2=CC=C(C=C12)C#N)B(O)O
| PubChem CID | 44119347 |
|---|---|
| CAS | 913835-67-3 |
| Molecular Weight (g/mol) | 286.09 |
| MDL Number | MFCD08436056 |
| SMILES | CC(C)(C)OC(=O)N1C(=CC2=CC=C(C=C12)C#N)B(O)O |
| Synonym | 1-boc-6-cyanoindole-2-boronic acid,1-tert-butoxycarbonyl-6-cyano-1h-indol-2-yl boronic acid,1-tert-butoxycarbonyl-6-cyano-1h-indole-2-boronic acid,6-cyano-1h-indole-2-boronic acid, n-boc protected,1-tert-butoxycarbonyl-6-cyanoindol-2-ylboronic acid,acmc-209r9t,6-cyano-1h-indol-2-ylboronic acid, n-boc protected,1-tert-butoxycarbonyl-6-cyano-1h-indol-2-yl boronicacid,1-tert-butoxycarbonyl-2-dihydroxyboryl-1h-indole-6-carbonitrile |
| IUPAC Name | [6-cyano-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid |
| InChI Key | CZEBTZMIQZVUSE-UHFFFAOYSA-N |
| Molecular Formula | C14H15BN2O4 |
1-Ethylpiperazine, 98%
CAS: 5308-25-8 Molecular Formula: C6H14N2 Molecular Weight (g/mol): 114.192 MDL Number: MFCD00059912 InChI Key: WGCYRFWNGRMRJA-UHFFFAOYSA-N Synonym: n-ethylpiperazine,piperazine, 1-ethyl,1-ethylpiperazin,1-ethyl-piperazine,ethylpiperazine,n-ethyl piperazine,unii-6w2bw0v73g,1-ethyl-piperazin,ethypiperazine,ethyl piperazine PubChem CID: 79196 IUPAC Name: 1-ethylpiperazine SMILES: CCN1CCNCC1
| PubChem CID | 79196 |
|---|---|
| CAS | 5308-25-8 |
| Molecular Weight (g/mol) | 114.192 |
| MDL Number | MFCD00059912 |
| SMILES | CCN1CCNCC1 |
| Synonym | n-ethylpiperazine,piperazine, 1-ethyl,1-ethylpiperazin,1-ethyl-piperazine,ethylpiperazine,n-ethyl piperazine,unii-6w2bw0v73g,1-ethyl-piperazin,ethypiperazine,ethyl piperazine |
| IUPAC Name | 1-ethylpiperazine |
| InChI Key | WGCYRFWNGRMRJA-UHFFFAOYSA-N |
| Molecular Formula | C6H14N2 |
4-Methyl-5-thiazoleethanol, 98%
CAS: 137-00-8 Molecular Formula: C6H9NOS Molecular Weight (g/mol): 143.21 MDL Number: MFCD00005339 InChI Key: BKAWJIRCKVUVED-UHFFFAOYSA-N Synonym: 4-methyl-5-thiazoleethanol,sulfurol,5-2-hydroxyethyl-4-methylthiazole,hemineurine,2-4-methylthiazol-5-yl ethanol,4-methyl-5-thiazolethanol,5-thiazoleethanol, 4-methyl,2-4-methyl-1,3-thiazol-5-yl ethanol,4-methyl-5-hydroxyethylthiazole,2-4-methyl-1,3-thiazol-5-yl ethan-1-ol PubChem CID: 1136 ChEBI: CHEBI:17957 IUPAC Name: 2-(4-methyl-1,3-thiazol-5-yl)ethanol SMILES: CC1=C(SC=N1)CCO
| PubChem CID | 1136 |
|---|---|
| CAS | 137-00-8 |
| Molecular Weight (g/mol) | 143.21 |
| ChEBI | CHEBI:17957 |
| MDL Number | MFCD00005339 |
| SMILES | CC1=C(SC=N1)CCO |
| Synonym | 4-methyl-5-thiazoleethanol,sulfurol,5-2-hydroxyethyl-4-methylthiazole,hemineurine,2-4-methylthiazol-5-yl ethanol,4-methyl-5-thiazolethanol,5-thiazoleethanol, 4-methyl,2-4-methyl-1,3-thiazol-5-yl ethanol,4-methyl-5-hydroxyethylthiazole,2-4-methyl-1,3-thiazol-5-yl ethan-1-ol |
| IUPAC Name | 2-(4-methyl-1,3-thiazol-5-yl)ethanol |
| InChI Key | BKAWJIRCKVUVED-UHFFFAOYSA-N |
| Molecular Formula | C6H9NOS |
2,2'-Biquinoline, 98%
CAS: 119-91-5 Molecular Formula: C18H12N2 Molecular Weight (g/mol): 256.3 MDL Number: MFCD00006740 InChI Key: WPTCSQBWLUUYDV-UHFFFAOYSA-N Synonym: 2,2'-biquinoline,cuproin,cuproine,2,2'-diquinolyl,2,2'-biquinolyl,2,2'-quinolyl,2-2-quinolyl quinoline,2,2-biquinoline,2,2-diquinolyl,2,2;-biquinoline PubChem CID: 8412 IUPAC Name: 2-quinolin-2-ylquinoline SMILES: C1=CC=C2C(=C1)C=CC(=N2)C3=NC4=CC=CC=C4C=C3
| PubChem CID | 8412 |
|---|---|
| CAS | 119-91-5 |
| Molecular Weight (g/mol) | 256.3 |
| MDL Number | MFCD00006740 |
| SMILES | C1=CC=C2C(=C1)C=CC(=N2)C3=NC4=CC=CC=C4C=C3 |
| Synonym | 2,2'-biquinoline,cuproin,cuproine,2,2'-diquinolyl,2,2'-biquinolyl,2,2'-quinolyl,2-2-quinolyl quinoline,2,2-biquinoline,2,2-diquinolyl,2,2;-biquinoline |
| IUPAC Name | 2-quinolin-2-ylquinoline |
| InChI Key | WPTCSQBWLUUYDV-UHFFFAOYSA-N |
| Molecular Formula | C18H12N2 |
2-Chloro-4-cyanopyridine, 97%
CAS: 33252-30-1 Molecular Formula: C6H3ClN2 Molecular Weight (g/mol): 138.554 MDL Number: MFCD00174318 InChI Key: QRXBTPFMCTXCRD-UHFFFAOYSA-N Synonym: 2-chloro-4-cyanopyridine,2-chloroisonicotinonitrile,2-chloro-4-pyridinecarbonitrile,2-chloro-isonicotinonitrile,4-cyano-2-chloropyridine,4-pyridinecarbonitrile, 2-chloro,2-chloro-4-cyano pyridine,2-chlorisonicotinonitril,pubchem2582 PubChem CID: 568638 IUPAC Name: 2-chloropyridine-4-carbonitrile SMILES: C1=CN=C(C=C1C#N)Cl
| PubChem CID | 568638 |
|---|---|
| CAS | 33252-30-1 |
| Molecular Weight (g/mol) | 138.554 |
| MDL Number | MFCD00174318 |
| SMILES | C1=CN=C(C=C1C#N)Cl |
| Synonym | 2-chloro-4-cyanopyridine,2-chloroisonicotinonitrile,2-chloro-4-pyridinecarbonitrile,2-chloro-isonicotinonitrile,4-cyano-2-chloropyridine,4-pyridinecarbonitrile, 2-chloro,2-chloro-4-cyano pyridine,2-chlorisonicotinonitril,pubchem2582 |
| IUPAC Name | 2-chloropyridine-4-carbonitrile |
| InChI Key | QRXBTPFMCTXCRD-UHFFFAOYSA-N |
| Molecular Formula | C6H3ClN2 |
2,6-Difluoropyridine, 99%
CAS: 1513-65-1 Molecular Formula: C5H3F2N Molecular Weight (g/mol): 115.08 MDL Number: MFCD00006227 InChI Key: MBTGBRYMJKYYOE-UHFFFAOYSA-N Synonym: pyridine, 2,6-difluoro,2,6-difluorpyridin,ccris 1720,2,6-difluoro-pyridine,2,6-difluoropyridin,pubchem9241,2,6 difluoropyridine,2, 6-difluoropyridine,2,6 difluoro pyridine,2,6-di-fluoropyridine PubChem CID: 73934 IUPAC Name: 2,6-difluoropyridine SMILES: C1=CC(=NC(=C1)F)F
| PubChem CID | 73934 |
|---|---|
| CAS | 1513-65-1 |
| Molecular Weight (g/mol) | 115.08 |
| MDL Number | MFCD00006227 |
| SMILES | C1=CC(=NC(=C1)F)F |
| Synonym | pyridine, 2,6-difluoro,2,6-difluorpyridin,ccris 1720,2,6-difluoro-pyridine,2,6-difluoropyridin,pubchem9241,2,6 difluoropyridine,2, 6-difluoropyridine,2,6 difluoro pyridine,2,6-di-fluoropyridine |
| IUPAC Name | 2,6-difluoropyridine |
| InChI Key | MBTGBRYMJKYYOE-UHFFFAOYSA-N |
| Molecular Formula | C5H3F2N |
Isoprene monoxide, 95%
CAS: 1838-94-4 Molecular Formula: C5H8O Molecular Weight (g/mol): 84.118 MDL Number: MFCD00075225 InChI Key: FVCDMHWSPLRYAB-UHFFFAOYSA-N Synonym: 2-methyl-2-vinyloxirane,isoprene monoxide,ccris 5685,3,4-epoxy-3-methyl-1-butene,2-methyl-2-vinyl-oxirane,oxirane, 2-ethenyl-2-methyl-, 2r,acmc-20m5m5,oxirane, 2-ethenyl-2-methyl,4,4,4-3fmet-1-2-furyl-1,3-butandione PubChem CID: 92166 IUPAC Name: 2-ethenyl-2-methyloxirane SMILES: CC1(CO1)C=C
| PubChem CID | 92166 |
|---|---|
| CAS | 1838-94-4 |
| Molecular Weight (g/mol) | 84.118 |
| MDL Number | MFCD00075225 |
| SMILES | CC1(CO1)C=C |
| Synonym | 2-methyl-2-vinyloxirane,isoprene monoxide,ccris 5685,3,4-epoxy-3-methyl-1-butene,2-methyl-2-vinyl-oxirane,oxirane, 2-ethenyl-2-methyl-, 2r,acmc-20m5m5,oxirane, 2-ethenyl-2-methyl,4,4,4-3fmet-1-2-furyl-1,3-butandione |
| IUPAC Name | 2-ethenyl-2-methyloxirane |
| InChI Key | FVCDMHWSPLRYAB-UHFFFAOYSA-N |
| Molecular Formula | C5H8O |
2-n-Octylthiophene, 98%
CAS: 880-36-4 Molecular Formula: C12H20S Molecular Weight (g/mol): 196.352 MDL Number: MFCD00041015 InChI Key: GIFWAJGKWIDXMY-UHFFFAOYSA-N Synonym: 2-n-octylthiophene,thiophene, 2-octyl,octylthiophene,acmc-209qqw PubChem CID: 70153 IUPAC Name: 2-octylthiophene SMILES: CCCCCCCCC1=CC=CS1
| PubChem CID | 70153 |
|---|---|
| CAS | 880-36-4 |
| Molecular Weight (g/mol) | 196.352 |
| MDL Number | MFCD00041015 |
| SMILES | CCCCCCCCC1=CC=CS1 |
| Synonym | 2-n-octylthiophene,thiophene, 2-octyl,octylthiophene,acmc-209qqw |
| IUPAC Name | 2-octylthiophene |
| InChI Key | GIFWAJGKWIDXMY-UHFFFAOYSA-N |
| Molecular Formula | C12H20S |
Piperonyl alcohol, 98%
CAS: 495-76-1 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00005836 InChI Key: BHUIUXNAPJIDOG-UHFFFAOYSA-N Synonym: piperonyl alcohol,piperonol,1,3-benzodioxole-5-methanol,3,4-methylenedioxybenzyl alcohol,benzo d 1,3 dioxol-5-ylmethanol,piperonylalcohol,5-hydroxymethyl-1,3-benzodioxole,1-hydroxymethyl-3,4-methylenedioxybenzene,benzo 1,3 dioxol-5-ylmethanol,3,4-methylenedioxy phenylmethanol PubChem CID: 10322 IUPAC Name: 1,3-benzodioxol-5-ylmethanol SMILES: C1OC2=C(O1)C=C(C=C2)CO
| PubChem CID | 10322 |
|---|---|
| CAS | 495-76-1 |
| Molecular Weight (g/mol) | 152.15 |
| MDL Number | MFCD00005836 |
| SMILES | C1OC2=C(O1)C=C(C=C2)CO |
| Synonym | piperonyl alcohol,piperonol,1,3-benzodioxole-5-methanol,3,4-methylenedioxybenzyl alcohol,benzo d 1,3 dioxol-5-ylmethanol,piperonylalcohol,5-hydroxymethyl-1,3-benzodioxole,1-hydroxymethyl-3,4-methylenedioxybenzene,benzo 1,3 dioxol-5-ylmethanol,3,4-methylenedioxy phenylmethanol |
| IUPAC Name | 1,3-benzodioxol-5-ylmethanol |
| InChI Key | BHUIUXNAPJIDOG-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
1,10-Phenanthroline, Monohydrate, ACS, Spectrum™ Chemical
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CAS: 5144-89-8
| CAS | 5144-89-8 |
|---|
3-Ethylpyridine, 98%
CAS: 536-78-7 Molecular Formula: C7H9N Molecular Weight (g/mol): 107.156 MDL Number: MFCD00006413 InChI Key: MFEIKQPHQINPRI-UHFFFAOYSA-N Synonym: pyridine, 3-ethyl,3-ethyl pyridine,beta-lutidine,beta-ethylpyridine,3-ethyl-pyridine,5-ethylpyridine,unii-a25i3ez88v,lutidine, beta,3ethylpyridine,fema no. 3394 PubChem CID: 10823 IUPAC Name: 3-ethylpyridine SMILES: CCC1=CN=CC=C1
| PubChem CID | 10823 |
|---|---|
| CAS | 536-78-7 |
| Molecular Weight (g/mol) | 107.156 |
| MDL Number | MFCD00006413 |
| SMILES | CCC1=CN=CC=C1 |
| Synonym | pyridine, 3-ethyl,3-ethyl pyridine,beta-lutidine,beta-ethylpyridine,3-ethyl-pyridine,5-ethylpyridine,unii-a25i3ez88v,lutidine, beta,3ethylpyridine,fema no. 3394 |
| IUPAC Name | 3-ethylpyridine |
| InChI Key | MFEIKQPHQINPRI-UHFFFAOYSA-N |
| Molecular Formula | C7H9N |