Organoheterocyclic compounds
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3-(tert-Butyl)-1-methyl-1H-pyrazol-5-amine, 97%, Thermo Scientific™
CAS: 118430-73-2 Molecular Formula: C8H15N3 Molecular Weight (g/mol): 153.23 MDL Number: MFCD00068002 InChI Key: XSCDSAMVQLKDNI-UHFFFAOYSA-N Synonym: 5-amino-3-tert-butyl-1-methylpyrazole,3-tert-butyl-1-methyl-1h-pyrazol-5-amine,5-tert-butyl-2-methyl-2h-pyrazol-3-ylamine,1h-pyrazol-5-amine, 3-1,1-dimethylethyl-1-methyl,5-amino-3-tert-butyl-1-methyl-1h-pyrazole,3-tert-butyl-1-methylpyrazole-5-ylamine,acmc-1cins,maybridge4_002215,5-amino-1-methyl-3-tert-butylpyrazole PubChem CID: 2735287 SMILES: CN1N=C(C=C1N)C(C)(C)C
| PubChem CID | 2735287 |
|---|---|
| CAS | 118430-73-2 |
| Molecular Weight (g/mol) | 153.23 |
| MDL Number | MFCD00068002 |
| SMILES | CN1N=C(C=C1N)C(C)(C)C |
| Synonym | 5-amino-3-tert-butyl-1-methylpyrazole,3-tert-butyl-1-methyl-1h-pyrazol-5-amine,5-tert-butyl-2-methyl-2h-pyrazol-3-ylamine,1h-pyrazol-5-amine, 3-1,1-dimethylethyl-1-methyl,5-amino-3-tert-butyl-1-methyl-1h-pyrazole,3-tert-butyl-1-methylpyrazole-5-ylamine,acmc-1cins,maybridge4_002215,5-amino-1-methyl-3-tert-butylpyrazole |
| InChI Key | XSCDSAMVQLKDNI-UHFFFAOYSA-N |
| Molecular Formula | C8H15N3 |
1,3,5-Triazine, 97%
CAS: 290-87-9 Molecular Formula: C3H3N3 Molecular Weight (g/mol): 81.08 MDL Number: MFCD00006044 InChI Key: JIHQDMXYYFUGFV-UHFFFAOYSA-N Synonym: s-triazine,sym-triazine,cyanidine,vedita 250,unii-8b5f4cm81e,vedita,1,5-triazine,hydrogen cyanide trimer,acmc-209h6t PubChem CID: 9262 ChEBI: CHEBI:30259 IUPAC Name: 1,3,5-triazine SMILES: C1=NC=NC=N1
| PubChem CID | 9262 |
|---|---|
| CAS | 290-87-9 |
| Molecular Weight (g/mol) | 81.08 |
| ChEBI | CHEBI:30259 |
| MDL Number | MFCD00006044 |
| SMILES | C1=NC=NC=N1 |
| Synonym | s-triazine,sym-triazine,cyanidine,vedita 250,unii-8b5f4cm81e,vedita,1,5-triazine,hydrogen cyanide trimer,acmc-209h6t |
| IUPAC Name | 1,3,5-triazine |
| InChI Key | JIHQDMXYYFUGFV-UHFFFAOYSA-N |
| Molecular Formula | C3H3N3 |
5-Methylpyridine-2-boronic acid, 95%
CAS: 372963-49-0 Molecular Formula: C6H8BNO2 Molecular Weight (g/mol): 136.945 MDL Number: MFCD00674179 InChI Key: VDRIXWWGBDNWCM-UHFFFAOYSA-N Synonym: 5-methylpyridine-2-boronic acid,5-methylpyridin-2-yl boronic acid,5-methyl-2-pyridineboronic acid,5-picoline-2-boronic acid,boronic acid, 5-methyl-2-pyridinyl,5-methyl-2-pyridinyl-boronic acid,pubchem6938,acmc-209is4,5-methyl-2-pyridyl boronic acid,5-methyl-2-pyridinyl boronic acid PubChem CID: 2762743 IUPAC Name: (5-methylpyridin-2-yl)boronic acid SMILES: B(C1=NC=C(C=C1)C)(O)O
| PubChem CID | 2762743 |
|---|---|
| CAS | 372963-49-0 |
| Molecular Weight (g/mol) | 136.945 |
| MDL Number | MFCD00674179 |
| SMILES | B(C1=NC=C(C=C1)C)(O)O |
| Synonym | 5-methylpyridine-2-boronic acid,5-methylpyridin-2-yl boronic acid,5-methyl-2-pyridineboronic acid,5-picoline-2-boronic acid,boronic acid, 5-methyl-2-pyridinyl,5-methyl-2-pyridinyl-boronic acid,pubchem6938,acmc-209is4,5-methyl-2-pyridyl boronic acid,5-methyl-2-pyridinyl boronic acid |
| IUPAC Name | (5-methylpyridin-2-yl)boronic acid |
| InChI Key | VDRIXWWGBDNWCM-UHFFFAOYSA-N |
| Molecular Formula | C6H8BNO2 |
2-Amino-5-nitropyridine, 97+%
CAS: 4214-76-0 Molecular Formula: C5H5N3O2 Molecular Weight (g/mol): 139.11 MDL Number: MFCD00006325 InChI Key: UGSBCCAHDVCHGI-UHFFFAOYSA-N Synonym: 2-amino-5-nitropyridine,2-pyridinamine, 5-nitro,5-nitro-2-aminopyridine,5-nitro-2-pyridinamine,2-amino-5-nitro pyridine,pyridine, 2-amino-5-nitro,5-nitro-pyridin-2-ylamine,5-nitro-pyridin-2-yl amine,5-nitro-2-pyridylamine,5-nitropyridin-2-amin PubChem CID: 77888 IUPAC Name: 5-nitropyridin-2-amine SMILES: NC1=CC=C(C=N1)[N+]([O-])=O
| PubChem CID | 77888 |
|---|---|
| CAS | 4214-76-0 |
| Molecular Weight (g/mol) | 139.11 |
| MDL Number | MFCD00006325 |
| SMILES | NC1=CC=C(C=N1)[N+]([O-])=O |
| Synonym | 2-amino-5-nitropyridine,2-pyridinamine, 5-nitro,5-nitro-2-aminopyridine,5-nitro-2-pyridinamine,2-amino-5-nitro pyridine,pyridine, 2-amino-5-nitro,5-nitro-pyridin-2-ylamine,5-nitro-pyridin-2-yl amine,5-nitro-2-pyridylamine,5-nitropyridin-2-amin |
| IUPAC Name | 5-nitropyridin-2-amine |
| InChI Key | UGSBCCAHDVCHGI-UHFFFAOYSA-N |
| Molecular Formula | C5H5N3O2 |
Chlorpheniramine Maleate, USP, 98-102%, Spectrum™ Chemical
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CAS: 113-92-8 Molecular Formula: C20H23ClN2O4 Molecular Weight (g/mol): 390.86 MDL Number: MFCD00069225 InChI Key: DBAKFASWICGISY-BTJKTKAUNA-N IUPAC Name: [3-(4-chlorophenyl)-3-(pyridin-2-yl)propyl]dimethylazanium (2Z)-3-carboxyprop-2-enoate SMILES: OC(=O)\C=C/C([O-])=O.C[NH+](C)CCC(C1=CC=C(Cl)C=C1)C1=CC=CC=N1
| CAS | 113-92-8 |
|---|---|
| Molecular Weight (g/mol) | 390.86 |
| MDL Number | MFCD00069225 |
| SMILES | OC(=O)\C=C/C([O-])=O.C[NH+](C)CCC(C1=CC=C(Cl)C=C1)C1=CC=CC=N1 |
| IUPAC Name | [3-(4-chlorophenyl)-3-(pyridin-2-yl)propyl]dimethylazanium (2Z)-3-carboxyprop-2-enoate |
| InChI Key | DBAKFASWICGISY-BTJKTKAUNA-N |
| Molecular Formula | C20H23ClN2O4 |
1,10-Phenanthroline monohydrate, ACS, MilliporeSigma™
CAS: 5144-89-8 Molecular Formula: C12H10N2O Molecular Weight (g/mol): 198.23 MDL Number: MFCD00149973 InChI Key: PPQJCISYYXZCAE-UHFFFAOYSA-N Synonym: 1,10-phenanthroline hydrate,1,10-phenanthroline monohydrate,o-phenanthroline monohydrate,unii-ksx215x00e,1,10-fenantrolina,4,5-phenanthroline monohydrate,1,10-phenanthroline, monohydrate,1,10-fenanthrolin,1,10-phenanthrolineo-phenanthroline,1, 10-phenanthroline monohydrate PubChem CID: 21226 IUPAC Name: 1,10-phenanthroline hydrate SMILES: O.C1=CN=C2C(C=CC3=CC=CN=C23)=C1
| PubChem CID | 21226 |
|---|---|
| CAS | 5144-89-8 |
| Molecular Weight (g/mol) | 198.23 |
| MDL Number | MFCD00149973 |
| SMILES | O.C1=CN=C2C(C=CC3=CC=CN=C23)=C1 |
| Synonym | 1,10-phenanthroline hydrate,1,10-phenanthroline monohydrate,o-phenanthroline monohydrate,unii-ksx215x00e,1,10-fenantrolina,4,5-phenanthroline monohydrate,1,10-phenanthroline, monohydrate,1,10-fenanthrolin,1,10-phenanthrolineo-phenanthroline,1, 10-phenanthroline monohydrate |
| IUPAC Name | 1,10-phenanthroline hydrate |
| InChI Key | PPQJCISYYXZCAE-UHFFFAOYSA-N |
| Molecular Formula | C12H10N2O |
Povidone, K-90, USP, Spectrum™ Chemical
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CAS: 9003-39-8 Molecular Formula: (C6H9NO)n Molecular Weight (g/mol): 111.14 MDL Number: MFCD01076626 InChI Key: WHNWPMSKXPGLAX-UHFFFAOYSA-N IUPAC Name: 1-ethenylpyrrolidin-2-one SMILES: *-CC(-*)N1CCCC1=O
| CAS | 9003-39-8 |
|---|---|
| Molecular Weight (g/mol) | 111.14 |
| MDL Number | MFCD01076626 |
| SMILES | *-CC(-*)N1CCCC1=O |
| IUPAC Name | 1-ethenylpyrrolidin-2-one |
| InChI Key | WHNWPMSKXPGLAX-UHFFFAOYSA-N |
| Molecular Formula | (C6H9NO)n |
Imidazole-4-carboxaldehyde, 97%
CAS: 3034-50-2 Molecular Formula: C4H4N2O Molecular Weight (g/mol): 96.089 MDL Number: MFCD00173726 InChI Key: ZQEXIXXJFSQPNA-UHFFFAOYSA-N Synonym: 1h-imidazole-4-carbaldehyde,imidazole-4-carbaldehyde,1h-imidazole-4-carboxaldehyde,imidazole-4-carboxaldehyde,4-imidazolecarboxaldehyde,4-formylimidazole,4 5-imidazolecarboxaldehyde,3h-imidazole-4-carbaldehyde,4-formyl-1h-imidazole,imidazole-5-carbaldehyde PubChem CID: 76428 IUPAC Name: 1H-imidazole-5-carbaldehyde SMILES: C1=C(NC=N1)C=O
| PubChem CID | 76428 |
|---|---|
| CAS | 3034-50-2 |
| Molecular Weight (g/mol) | 96.089 |
| MDL Number | MFCD00173726 |
| SMILES | C1=C(NC=N1)C=O |
| Synonym | 1h-imidazole-4-carbaldehyde,imidazole-4-carbaldehyde,1h-imidazole-4-carboxaldehyde,imidazole-4-carboxaldehyde,4-imidazolecarboxaldehyde,4-formylimidazole,4 5-imidazolecarboxaldehyde,3h-imidazole-4-carbaldehyde,4-formyl-1h-imidazole,imidazole-5-carbaldehyde |
| IUPAC Name | 1H-imidazole-5-carbaldehyde |
| InChI Key | ZQEXIXXJFSQPNA-UHFFFAOYSA-N |
| Molecular Formula | C4H4N2O |
4-(Tetrahydropyran-4-yloxy)benzoic acid, 97%, Thermo Scientific™
CAS: 851048-51-6 Molecular Formula: C12H14O4 Molecular Weight (g/mol): 222.24 MDL Number: MFCD09025874 InChI Key: MPNYLYRGNCZFFH-UHFFFAOYSA-N PubChem CID: 24229519 IUPAC Name: 4-(oxan-4-yloxy)benzoic acid SMILES: C1COCCC1OC2=CC=C(C=C2)C(=O)O
| PubChem CID | 24229519 |
|---|---|
| CAS | 851048-51-6 |
| Molecular Weight (g/mol) | 222.24 |
| MDL Number | MFCD09025874 |
| SMILES | C1COCCC1OC2=CC=C(C=C2)C(=O)O |
| IUPAC Name | 4-(oxan-4-yloxy)benzoic acid |
| InChI Key | MPNYLYRGNCZFFH-UHFFFAOYSA-N |
| Molecular Formula | C12H14O4 |
N-Methylcaprolactam, 96%
CAS: 2556-73-2 Molecular Formula: C7H13NO Molecular Weight (g/mol): 127.187 MDL Number: MFCD00003263 InChI Key: ZWXPDGCFMMFNRW-UHFFFAOYSA-N Synonym: n-methylcaprolactam,1-methylcaprolactam,n-methyl-.epsilon.-caprolactam,2h-azepin-2-one, hexahydro-1-methyl,n-methyl-e-caprolactam,epsilon-caprolactam, n-methyl,2h-azepin-2-one, hexahydro-n-methyl,hexahydro-n-methyl-2h-azepin-2-one,n-methyl-epsilon-caprolactam,n-methyl caprolactam PubChem CID: 17369 IUPAC Name: 1-methylazepan-2-one SMILES: CN1CCCCCC1=O
| PubChem CID | 17369 |
|---|---|
| CAS | 2556-73-2 |
| Molecular Weight (g/mol) | 127.187 |
| MDL Number | MFCD00003263 |
| SMILES | CN1CCCCCC1=O |
| Synonym | n-methylcaprolactam,1-methylcaprolactam,n-methyl-.epsilon.-caprolactam,2h-azepin-2-one, hexahydro-1-methyl,n-methyl-e-caprolactam,epsilon-caprolactam, n-methyl,2h-azepin-2-one, hexahydro-n-methyl,hexahydro-n-methyl-2h-azepin-2-one,n-methyl-epsilon-caprolactam,n-methyl caprolactam |
| IUPAC Name | 1-methylazepan-2-one |
| InChI Key | ZWXPDGCFMMFNRW-UHFFFAOYSA-N |
| Molecular Formula | C7H13NO |
4-Thiazolecarboxylic acid, 97%
CAS: 3973-08-8 Molecular Formula: C4H3NO2S Molecular Weight (g/mol): 129.14
| CAS | 3973-08-8 |
|---|---|
| Molecular Weight (g/mol) | 129.14 |
| Molecular Formula | C4H3NO2S |
3-(Chloromethyl)-5-(2-furyl)isoxazole, ≥97%, Thermo Scientific™
CAS: 848658-70-8 Molecular Formula: C8H6ClNO2 Molecular Weight (g/mol): 183.591 MDL Number: MFCD07329988 InChI Key: IPIMDVOPXIOKAK-UHFFFAOYSA-N Synonym: 3-chloromethyl-5-2-furyl isoxazole,3-chloromethyl-5-furan-2-yl-1,2-oxazole,isoxazole,3-chloromethyl-5-2-furanyl,3-chloromethyl-5-furan-2-yl isoxazole PubChem CID: 4962799 IUPAC Name: 3-(chloromethyl)-5-(furan-2-yl)-1,2-oxazole SMILES: C1=COC(=C1)C2=CC(=NO2)CCl
| PubChem CID | 4962799 |
|---|---|
| CAS | 848658-70-8 |
| Molecular Weight (g/mol) | 183.591 |
| MDL Number | MFCD07329988 |
| SMILES | C1=COC(=C1)C2=CC(=NO2)CCl |
| Synonym | 3-chloromethyl-5-2-furyl isoxazole,3-chloromethyl-5-furan-2-yl-1,2-oxazole,isoxazole,3-chloromethyl-5-2-furanyl,3-chloromethyl-5-furan-2-yl isoxazole |
| IUPAC Name | 3-(chloromethyl)-5-(furan-2-yl)-1,2-oxazole |
| InChI Key | IPIMDVOPXIOKAK-UHFFFAOYSA-N |
| Molecular Formula | C8H6ClNO2 |
Furo[3,2-b]pyridine, 95%
CAS: 272-62-8 Molecular Formula: C7H5NO Molecular Weight (g/mol): 119.12 MDL Number: MFCD11870744 InChI Key: YRTCKZIKGWZNCU-UHFFFAOYSA-N Synonym: furo 3,2-b pyridine,4-azabenzo b furan,furopyridine,furo 3,2-b pyridin,4-aza-1-benzofuran PubChem CID: 12210217 IUPAC Name: furo[3,2-b]pyridine SMILES: O1C=CC2=NC=CC=C12
| PubChem CID | 12210217 |
|---|---|
| CAS | 272-62-8 |
| Molecular Weight (g/mol) | 119.12 |
| MDL Number | MFCD11870744 |
| SMILES | O1C=CC2=NC=CC=C12 |
| Synonym | furo 3,2-b pyridine,4-azabenzo b furan,furopyridine,furo 3,2-b pyridin,4-aza-1-benzofuran |
| IUPAC Name | furo[3,2-b]pyridine |
| InChI Key | YRTCKZIKGWZNCU-UHFFFAOYSA-N |
| Molecular Formula | C7H5NO |
3-Benzyl-5-(2-hydroxyethyl)-4-methylthiazolium chloride, 98%
CAS: 4568-71-2 Molecular Formula: C13H16ClNOS Molecular Weight (g/mol): 269.79 MDL Number: MFCD00011959 InChI Key: IWSVLBKHBJGMAA-UHFFFAOYSA-M Synonym: 3-benzyl-5-2-hydroxyethyl-4-methylthiazolium chloride,3-benzyl-5-2-hydroxyethyl-4-methylthiazol-3-ium chloride,3-benzyl-5-2-hydroxyethyl-4-methyl-1,3-thiazol-3-ium chloride,thiazolium, 5-2-hydroxyethyl-4-methyl-3-phenylmethyl-, chloride,2-4-methyl-3-benzyl-1,3-thiazol-5-yl ethan-1-ol, chloride,acmc-1aqyn,3-benzyl-5-2-hydroxyethyl thazolium chloride,3-benzyl-4-methyl-5-hydroxyethylthiazolium chloride,3-benzyl-5-hydroxyethyl-4-methylthiazolium chloride,3-benzyl-5 2-hydroxyethyl-4-methylthiazolium chloride PubChem CID: 2833352 IUPAC Name: 2-(3-benzyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethanol;chloride SMILES: [Cl-].CC1=C(CCO)SC=[N+]1CC1=CC=CC=C1
| PubChem CID | 2833352 |
|---|---|
| CAS | 4568-71-2 |
| Molecular Weight (g/mol) | 269.79 |
| MDL Number | MFCD00011959 |
| SMILES | [Cl-].CC1=C(CCO)SC=[N+]1CC1=CC=CC=C1 |
| Synonym | 3-benzyl-5-2-hydroxyethyl-4-methylthiazolium chloride,3-benzyl-5-2-hydroxyethyl-4-methylthiazol-3-ium chloride,3-benzyl-5-2-hydroxyethyl-4-methyl-1,3-thiazol-3-ium chloride,thiazolium, 5-2-hydroxyethyl-4-methyl-3-phenylmethyl-, chloride,2-4-methyl-3-benzyl-1,3-thiazol-5-yl ethan-1-ol, chloride,acmc-1aqyn,3-benzyl-5-2-hydroxyethyl thazolium chloride,3-benzyl-4-methyl-5-hydroxyethylthiazolium chloride,3-benzyl-5-hydroxyethyl-4-methylthiazolium chloride,3-benzyl-5 2-hydroxyethyl-4-methylthiazolium chloride |
| IUPAC Name | 2-(3-benzyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethanol;chloride |
| InChI Key | IWSVLBKHBJGMAA-UHFFFAOYSA-M |
| Molecular Formula | C13H16ClNOS |
4-Amino-1H-pyrazole, 95%
CAS: 28466-26-4 Molecular Formula: C3H5N3 Molecular Weight (g/mol): 83.094 MDL Number: MFCD01693729 InChI Key: AXINVSXSGNSVLV-UHFFFAOYSA-N Synonym: 4-aminopyrazole,4-amino-1h-pyrazole,1h-pyrazol-4-ylamine,9ci,pyrazole, 4-amino,1h-pyrazole-4-amine,pyrazole-4-ylamine,4-nh2-pyrazole,1-h-pyrazol-4-amine,pubchem14988 PubChem CID: 78035 IUPAC Name: 1H-pyrazol-4-amine SMILES: C1=C(C=NN1)N
| PubChem CID | 78035 |
|---|---|
| CAS | 28466-26-4 |
| Molecular Weight (g/mol) | 83.094 |
| MDL Number | MFCD01693729 |
| SMILES | C1=C(C=NN1)N |
| Synonym | 4-aminopyrazole,4-amino-1h-pyrazole,1h-pyrazol-4-ylamine,9ci,pyrazole, 4-amino,1h-pyrazole-4-amine,pyrazole-4-ylamine,4-nh2-pyrazole,1-h-pyrazol-4-amine,pubchem14988 |
| IUPAC Name | 1H-pyrazol-4-amine |
| InChI Key | AXINVSXSGNSVLV-UHFFFAOYSA-N |
| Molecular Formula | C3H5N3 |