Organoheterocyclic compounds
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5-Methylimidazole-4-carboxaldehyde, 99%, Thermo Scientific Chemicals
CAS: 68282-53-1 Molecular Formula: C5H6N2O Molecular Weight (g/mol): 110.12 MDL Number: MFCD00173728 InChI Key: KMWCSNCNHSEXIF-UHFFFAOYSA-N Synonym: 4-methyl-1h-imidazole-5-carbaldehyde,5-methylimidazole-4-carboxaldehyde,4-methylimidazole-5-carboxaldehyde,4-methyl-5-imidazolecarboxaldehyde,5-methyl-3h-imidazole-4-carbaldehyde,4-methylimidazole-5-carbaldehyde,1h-imidazole-4-carboxaldehyde, 5-methyl,1h-imidazole-5-carboxaldehyde, 4-methyl,pubchem23016,acmc-1b6zs PubChem CID: 2795887 IUPAC Name: 5-methyl-1H-imidazole-4-carbaldehyde SMILES: CC1=C(C=O)N=CN1
| PubChem CID | 2795887 |
|---|---|
| CAS | 68282-53-1 |
| Molecular Weight (g/mol) | 110.12 |
| MDL Number | MFCD00173728 |
| SMILES | CC1=C(C=O)N=CN1 |
| Synonym | 4-methyl-1h-imidazole-5-carbaldehyde,5-methylimidazole-4-carboxaldehyde,4-methylimidazole-5-carboxaldehyde,4-methyl-5-imidazolecarboxaldehyde,5-methyl-3h-imidazole-4-carbaldehyde,4-methylimidazole-5-carbaldehyde,1h-imidazole-4-carboxaldehyde, 5-methyl,1h-imidazole-5-carboxaldehyde, 4-methyl,pubchem23016,acmc-1b6zs |
| IUPAC Name | 5-methyl-1H-imidazole-4-carbaldehyde |
| InChI Key | KMWCSNCNHSEXIF-UHFFFAOYSA-N |
| Molecular Formula | C5H6N2O |
6-(Tetrahydropyran-4-yloxy)nicotinic acid, 97%, Thermo Scientific™
CAS: 886851-55-4 Molecular Formula: C11H13NO4 Molecular Weight (g/mol): 223.228 MDL Number: MFCD09258833 InChI Key: OLOSQIMMFCSJHD-UHFFFAOYSA-N Synonym: 6-oxan-4-yloxy pyridine-3-carboxylic acid,6-tetrahydropyran-4-yloxy nicotinic acid,6-tetrahydro-2h-pyran-4-yloxy nicotinic acid,6-tetrahydro-2h-pyran-4-yl oxy nicotinic acid,2-tetrahydro-2h-pyran-4-yloxy pyridine-5-carboxylic acid,3-pyridinecarboxylicacid, 6-tetrahydro-2h-pyran-4-yl oxy,6-oxan-4-yl oxy pyridine-3-carboxylic acid,4-5-carboxypyridin-2-yl oxy tetrahydro-2h-pyran PubChem CID: 24229576 IUPAC Name: 6-(oxan-4-yloxy)pyridine-3-carboxylic acid SMILES: C1COCCC1OC2=NC=C(C=C2)C(=O)O
| PubChem CID | 24229576 |
|---|---|
| CAS | 886851-55-4 |
| Molecular Weight (g/mol) | 223.228 |
| MDL Number | MFCD09258833 |
| SMILES | C1COCCC1OC2=NC=C(C=C2)C(=O)O |
| Synonym | 6-oxan-4-yloxy pyridine-3-carboxylic acid,6-tetrahydropyran-4-yloxy nicotinic acid,6-tetrahydro-2h-pyran-4-yloxy nicotinic acid,6-tetrahydro-2h-pyran-4-yl oxy nicotinic acid,2-tetrahydro-2h-pyran-4-yloxy pyridine-5-carboxylic acid,3-pyridinecarboxylicacid, 6-tetrahydro-2h-pyran-4-yl oxy,6-oxan-4-yl oxy pyridine-3-carboxylic acid,4-5-carboxypyridin-2-yl oxy tetrahydro-2h-pyran |
| IUPAC Name | 6-(oxan-4-yloxy)pyridine-3-carboxylic acid |
| InChI Key | OLOSQIMMFCSJHD-UHFFFAOYSA-N |
| Molecular Formula | C11H13NO4 |
(S)-(-)-Nicotine, 98+%
CAS: 54-11-5 Molecular Formula: C10H14N2 MDL Number: MFCD00006369 InChI Key: SNICXCGAKADSCV-JTQLQIEISA-N Synonym: nicotine,l-nicotine,--nicotine,s-nicotine,habitrol,s-3-1-methylpyrrolidin-2-yl pyridine,nicoderm,nicotrol,s---nicotine,nicoderm cq PubChem CID: 89594 ChEBI: CHEBI:17688 IUPAC Name: 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
| PubChem CID | 89594 |
|---|---|
| CAS | 54-11-5 |
| ChEBI | CHEBI:17688 |
| MDL Number | MFCD00006369 |
| Synonym | nicotine,l-nicotine,--nicotine,s-nicotine,habitrol,s-3-1-methylpyrrolidin-2-yl pyridine,nicoderm,nicotrol,s---nicotine,nicoderm cq |
| IUPAC Name | 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine |
| InChI Key | SNICXCGAKADSCV-JTQLQIEISA-N |
| Molecular Formula | C10H14N2 |
Methyl 2-furoate, 98%
CAS: 611-13-2 Molecular Formula: C6H6O3 Molecular Weight (g/mol): 126.11 MDL Number: MFCD00003236 InChI Key: HDJLSECJEQSPKW-UHFFFAOYSA-N Synonym: methyl 2-furoate,methyl pyromucate,methyl 2-furancarboxylate,methyl furoate,2-furancarboxylic acid, methyl ester,2-methoxycarbonyl furan,pyromucic acid methyl ester,methyl 2-furylcarboxylate,2-furoic acid, methyl ester,furoic acid, methyl ester PubChem CID: 11902 IUPAC Name: methyl furan-2-carboxylate SMILES: COC(=O)C1=CC=CO1
| PubChem CID | 11902 |
|---|---|
| CAS | 611-13-2 |
| Molecular Weight (g/mol) | 126.11 |
| MDL Number | MFCD00003236 |
| SMILES | COC(=O)C1=CC=CO1 |
| Synonym | methyl 2-furoate,methyl pyromucate,methyl 2-furancarboxylate,methyl furoate,2-furancarboxylic acid, methyl ester,2-methoxycarbonyl furan,pyromucic acid methyl ester,methyl 2-furylcarboxylate,2-furoic acid, methyl ester,furoic acid, methyl ester |
| IUPAC Name | methyl furan-2-carboxylate |
| InChI Key | HDJLSECJEQSPKW-UHFFFAOYSA-N |
| Molecular Formula | C6H6O3 |
Isoquinoline, 97%
CAS: 119-65-3 Molecular Formula: C9H7N Molecular Weight (g/mol): 129.16 MDL Number: MFCD00006898,MFCD31699977 InChI Key: AWJUIBRHMBBTKR-UHFFFAOYSA-N Synonym: 2-azanaphthalene,2-benzazine,isochinolin,benzo c pyridine,beta-quinoline,2-benzanine,3,4-benzopyridine,.beta.-quinoline,isochinolin czech PubChem CID: 8405 ChEBI: CHEBI:16092 IUPAC Name: isoquinoline SMILES: C1=CC=C2C=NC=CC2=C1
| PubChem CID | 8405 |
|---|---|
| CAS | 119-65-3 |
| Molecular Weight (g/mol) | 129.16 |
| ChEBI | CHEBI:16092 |
| MDL Number | MFCD00006898,MFCD31699977 |
| SMILES | C1=CC=C2C=NC=CC2=C1 |
| Synonym | 2-azanaphthalene,2-benzazine,isochinolin,benzo c pyridine,beta-quinoline,2-benzanine,3,4-benzopyridine,.beta.-quinoline,isochinolin czech |
| IUPAC Name | isoquinoline |
| InChI Key | AWJUIBRHMBBTKR-UHFFFAOYSA-N |
| Molecular Formula | C9H7N |
3-Piperidinopyridine-2-carboxylic acid, 97%, Thermo Scientific™
CAS: 898289-01-5 Molecular Formula: C11H14N2O2 Molecular Weight (g/mol): 206.245 MDL Number: MFCD09025831 InChI Key: QIWMAMIMWHCYGZ-UHFFFAOYSA-N Synonym: 3-piperidinopyridine-2-carboxylic acid,3-piperidin-1-yl pyridine-2-carboxylic acid,3-piperidin-1-yl picolinic acid,3-piperidylpyridine-2-carboxylic acid,2-pyridinecarboxylicacid, 3-1-piperidinyl PubChem CID: 18525731 IUPAC Name: 3-piperidin-1-ylpyridine-2-carboxylic acid SMILES: C1CCN(CC1)C2=C(N=CC=C2)C(=O)O
| PubChem CID | 18525731 |
|---|---|
| CAS | 898289-01-5 |
| Molecular Weight (g/mol) | 206.245 |
| MDL Number | MFCD09025831 |
| SMILES | C1CCN(CC1)C2=C(N=CC=C2)C(=O)O |
| Synonym | 3-piperidinopyridine-2-carboxylic acid,3-piperidin-1-yl pyridine-2-carboxylic acid,3-piperidin-1-yl picolinic acid,3-piperidylpyridine-2-carboxylic acid,2-pyridinecarboxylicacid, 3-1-piperidinyl |
| IUPAC Name | 3-piperidin-1-ylpyridine-2-carboxylic acid |
| InChI Key | QIWMAMIMWHCYGZ-UHFFFAOYSA-N |
| Molecular Formula | C11H14N2O2 |
tert-Butyl 4-[5-(hydroxymethyl)pyrid-2-yl]piperazine-1-carboxylate, ≥97%, Thermo Scientific™
CAS: 857284-20-9 Molecular Formula: C15H23N3O3 Molecular Weight (g/mol): 293.367 MDL Number: MFCD08060526 InChI Key: QKCHWJYIPFBVRD-UHFFFAOYSA-N Synonym: tert-butyl 4-5-hydroxymethyl pyrid-2-yl piperazine-1-carboxylate,tert-butyl 4-5-hydroxymethyl pyridin-2-yl piperazine-1-carboxylate,1-piperazinecarboxylicacid, 4-5-hydroxymethyl-2-pyridinyl-, 1,1-dimethylethyl ester,1-piperazinecarboxylicacid,4-5-hydroxymethyl-2-pyridinyl-,1,1-dimethylethyl ester PubChem CID: 7537576 IUPAC Name: tert-butyl 4-[5-(hydroxymethyl)pyridin-2-yl]piperazine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=C(C=C2)CO
| PubChem CID | 7537576 |
|---|---|
| CAS | 857284-20-9 |
| Molecular Weight (g/mol) | 293.367 |
| MDL Number | MFCD08060526 |
| SMILES | CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=C(C=C2)CO |
| Synonym | tert-butyl 4-5-hydroxymethyl pyrid-2-yl piperazine-1-carboxylate,tert-butyl 4-5-hydroxymethyl pyridin-2-yl piperazine-1-carboxylate,1-piperazinecarboxylicacid, 4-5-hydroxymethyl-2-pyridinyl-, 1,1-dimethylethyl ester,1-piperazinecarboxylicacid,4-5-hydroxymethyl-2-pyridinyl-,1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl 4-[5-(hydroxymethyl)pyridin-2-yl]piperazine-1-carboxylate |
| InChI Key | QKCHWJYIPFBVRD-UHFFFAOYSA-N |
| Molecular Formula | C15H23N3O3 |
1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole, 97%, Thermo Scientific™
CAS: 898289-06-0 Molecular Formula: C15H20BNO2 Molecular Weight (g/mol): 257.14 MDL Number: MFCD08690266 InChI Key: CBEYYYCGOCYJIK-UHFFFAOYSA-N Synonym: 1-methyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-indole,1-methyl-4-tetramethyl-1,3,2-dioxaborolan-2-yl indole,1h-indole, 1-methyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,1-methyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl indole,1-methylindol-4-boronic acid pinacol ester,1-methylindol-4-boronic acid, pinacol ester,1-methyl-1h-indol-4-yl boronic acid pinacol ester,4,4,5,5-tetramethyl-2-1-methylindol-4-yl-1,3,2-dioxaborolane,1-methyl-4-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-1h-indole,1-methyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl-1h-indole PubChem CID: 18525785 SMILES: CN1C=CC2=C(C=CC=C12)B1OC(C)(C)C(C)(C)O1
| PubChem CID | 18525785 |
|---|---|
| CAS | 898289-06-0 |
| Molecular Weight (g/mol) | 257.14 |
| MDL Number | MFCD08690266 |
| SMILES | CN1C=CC2=C(C=CC=C12)B1OC(C)(C)C(C)(C)O1 |
| Synonym | 1-methyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-indole,1-methyl-4-tetramethyl-1,3,2-dioxaborolan-2-yl indole,1h-indole, 1-methyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,1-methyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl indole,1-methylindol-4-boronic acid pinacol ester,1-methylindol-4-boronic acid, pinacol ester,1-methyl-1h-indol-4-yl boronic acid pinacol ester,4,4,5,5-tetramethyl-2-1-methylindol-4-yl-1,3,2-dioxaborolane,1-methyl-4-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-1h-indole,1-methyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl-1h-indole |
| InChI Key | CBEYYYCGOCYJIK-UHFFFAOYSA-N |
| Molecular Formula | C15H20BNO2 |
5-Methylthiophene-2-carbonyl chloride, 97%, Thermo Scientific™
CAS: 31555-59-6 Molecular Formula: C6H5ClOS Molecular Weight (g/mol): 160.615 MDL Number: MFCD00130092 InChI Key: DJCGIWVUKCNCAT-UHFFFAOYSA-N Synonym: 5-methyl-thiophene-2-carbonyl chloride,5-methyl-2-thiophenecarbonyl chloride,2-thiophenecarbonyl chloride, 5-methyl,2-thiophenecarbonylchloride, 5-methyl,5-methyl-2-thenoyl chloride,2-chlorocarbonyl-5-methylthiophene,5-methyl-thiophene-carboxylicacid chloride,5-methylthiophene-2-carboxylic acid chloride,5-methyl-thiophene-2-carboxylic acid chloride PubChem CID: 2760083 IUPAC Name: 5-methylthiophene-2-carbonyl chloride SMILES: CC1=CC=C(S1)C(=O)Cl
| PubChem CID | 2760083 |
|---|---|
| CAS | 31555-59-6 |
| Molecular Weight (g/mol) | 160.615 |
| MDL Number | MFCD00130092 |
| SMILES | CC1=CC=C(S1)C(=O)Cl |
| Synonym | 5-methyl-thiophene-2-carbonyl chloride,5-methyl-2-thiophenecarbonyl chloride,2-thiophenecarbonyl chloride, 5-methyl,2-thiophenecarbonylchloride, 5-methyl,5-methyl-2-thenoyl chloride,2-chlorocarbonyl-5-methylthiophene,5-methyl-thiophene-carboxylicacid chloride,5-methylthiophene-2-carboxylic acid chloride,5-methyl-thiophene-2-carboxylic acid chloride |
| IUPAC Name | 5-methylthiophene-2-carbonyl chloride |
| InChI Key | DJCGIWVUKCNCAT-UHFFFAOYSA-N |
| Molecular Formula | C6H5ClOS |
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 |
4-(Bromomethyl)-3-methyl-5-phenylisoxazole, ≥95%, Thermo Scientific™
CAS: 113841-59-1 Molecular Formula: C11H10BrNO Molecular Weight (g/mol): 252.111 MDL Number: MFCD03086124 InChI Key: KCGVZUOBUPWFJC-UHFFFAOYSA-N PubChem CID: 2776518 IUPAC Name: 4-(bromomethyl)-3-methyl-5-phenyl-1,2-oxazole SMILES: CC1=NOC(=C1CBr)C2=CC=CC=C2
| PubChem CID | 2776518 |
|---|---|
| CAS | 113841-59-1 |
| Molecular Weight (g/mol) | 252.111 |
| MDL Number | MFCD03086124 |
| SMILES | CC1=NOC(=C1CBr)C2=CC=CC=C2 |
| IUPAC Name | 4-(bromomethyl)-3-methyl-5-phenyl-1,2-oxazole |
| InChI Key | KCGVZUOBUPWFJC-UHFFFAOYSA-N |
| Molecular Formula | C11H10BrNO |
1,10-Phenanthroline, 99%, may contain up to 1.5% water
CAS: 66-71-7 Molecular Formula: C12H8N2 Molecular Weight (g/mol): 180.21 MDL Number: MFCD00011678 InChI Key: DGEZNRSVGBDHLK-UHFFFAOYSA-N Synonym: o-phenanthroline,4,5-diazaphenanthrene,orthophenanthroline,phenanthroline,1,10-o-phenanthroline,phen,2-phenanthroline,beta-phenanthroline,.beta.-phenanthroline PubChem CID: 1318 ChEBI: CHEBI:44975 IUPAC Name: 1,10-phenanthroline SMILES: C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1
| PubChem CID | 1318 |
|---|---|
| CAS | 66-71-7 |
| Molecular Weight (g/mol) | 180.21 |
| ChEBI | CHEBI:44975 |
| MDL Number | MFCD00011678 |
| SMILES | C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1 |
| Synonym | o-phenanthroline,4,5-diazaphenanthrene,orthophenanthroline,phenanthroline,1,10-o-phenanthroline,phen,2-phenanthroline,beta-phenanthroline,.beta.-phenanthroline |
| IUPAC Name | 1,10-phenanthroline |
| InChI Key | DGEZNRSVGBDHLK-UHFFFAOYSA-N |
| Molecular Formula | C12H8N2 |
N-Methylpyrrolidone, ACS Reagent, for organic synthesis, prep-LC, and general laboratory use, >99.0%, Solstice
CAS: 872-50-4 Molecular Formula: C5H9NO Molecular Weight (g/mol): 99.133 InChI Key: SECXISVLQFMRJM-UHFFFAOYSA-N Synonym: 1-methyl-2-pyrrolidinone,n-methyl-2-pyrrolidone,n-methylpyrrolidone,1-methyl-2-pyrrolidone,methylpyrrolidone,m-pyrol,n-methyl-2-pyrrolidinone,n-methylpyrrolidinone,1-methylpyrrolidinone,2-pyrrolidinone, 1-methyl PubChem CID: 13387 ChEBI: CHEBI:7307 IUPAC Name: 1-methylpyrrolidin-2-one SMILES: CN1CCCC1=O
| PubChem CID | 13387 |
|---|---|
| CAS | 872-50-4 |
| Molecular Weight (g/mol) | 99.133 |
| ChEBI | CHEBI:7307 |
| SMILES | CN1CCCC1=O |
| Synonym | 1-methyl-2-pyrrolidinone,n-methyl-2-pyrrolidone,n-methylpyrrolidone,1-methyl-2-pyrrolidone,methylpyrrolidone,m-pyrol,n-methyl-2-pyrrolidinone,n-methylpyrrolidinone,1-methylpyrrolidinone,2-pyrrolidinone, 1-methyl |
| IUPAC Name | 1-methylpyrrolidin-2-one |
| InChI Key | SECXISVLQFMRJM-UHFFFAOYSA-N |
| Molecular Formula | C5H9NO |
2,4,6-Tris(2-pyridyl)-s-triazine, For Spectrophotometric Det. of Fe, 99.0% (HPLC), MilliporeSigma™ Supelco™
CAS: 3682-35-7 Molecular Formula: C18H12N6 Molecular Weight (g/mol): 312.34 MDL Number: MFCD00006045 InChI Key: KMVWNDHKTPHDMT-UHFFFAOYSA-N Synonym: 2,4,6-Tri(2-pyridyl)-s-triazine; TPTZ IUPAC Name: tris(pyridin-2-yl)-1,3,5-triazine SMILES: C1=CC=C(N=C1)C1=NC(=NC(=N1)C1=CC=CC=N1)C1=CC=CC=N1
| CAS | 3682-35-7 |
|---|---|
| Molecular Weight (g/mol) | 312.34 |
| MDL Number | MFCD00006045 |
| SMILES | C1=CC=C(N=C1)C1=NC(=NC(=N1)C1=CC=CC=N1)C1=CC=CC=N1 |
| Synonym | 2,4,6-Tri(2-pyridyl)-s-triazine; TPTZ |
| IUPAC Name | tris(pyridin-2-yl)-1,3,5-triazine |
| InChI Key | KMVWNDHKTPHDMT-UHFFFAOYSA-N |
| Molecular Formula | C18H12N6 |
TraceCERT™ Base-Neut Surrogate Spike Mix, Certified Reference Material, MilliporeSigma™ Supelco™
This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO 17034. This CRM is traceable to the SI through a primary reference material from a NMI. Certified content incl. uncertainty and expiry date are stated on the enclosed certificate.