Organoheterocyclic compounds
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(+)-1,1'-Bis[(2R,5R)-2,5-diethyl-1-phospholanyl]ferrocene, 97+%, Thermo Scientific Chemicals
CAS: 147762-89-8 Molecular Formula: C26H40FeP2 Molecular Weight (g/mol): 470.40 MDL Number: MFCD09265149 InChI Key: MXOVWRYEUJWIFP-UHFFFAOYNA-N Synonym: +-1,1-bis 2r,5r-2,5-diethyl-1-phospholanyl ferrocene, 97+% PubChem CID: 131675863 SMILES: [Fe].CC[C@@H]1CC[C@@H](CC)P1c1cccc1.CC[C@@H]1CC[C@@H](CC)P1c1cccc1
| PubChem CID | 131675863 |
|---|---|
| CAS | 147762-89-8 |
| Molecular Weight (g/mol) | 470.40 |
| MDL Number | MFCD09265149 |
| SMILES | [Fe].CC[C@@H]1CC[C@@H](CC)P1c1cccc1.CC[C@@H]1CC[C@@H](CC)P1c1cccc1 |
| Synonym | +-1,1-bis 2r,5r-2,5-diethyl-1-phospholanyl ferrocene, 97+% |
| InChI Key | MXOVWRYEUJWIFP-UHFFFAOYNA-N |
| Molecular Formula | C26H40FeP2 |
1-Benzyl-4-(methylamino)piperidine, 98%
CAS: 7006-50-0 Molecular Formula: C13H20N2 Molecular Weight (g/mol): 204.32 MDL Number: MFCD03931054 InChI Key: RGEQSTMITLEXKD-UHFFFAOYSA-N Synonym: 1-benzyl-piperidin-4-yl-methyl-amine,4-methylamino-1-benzylpiperidine,1-benzyl-4-methylamino piperidine,4-piperidinamine, n-methyl-1-phenylmethyl,1-benzyl-n-methyl-piperidin-4-amine,pubchem7928,benzylmethylpiperidinamine,1-benzyl-4-methylaminopiperidine,4-methylamino-1-benzyl piperidine PubChem CID: 4136128 IUPAC Name: 1-benzyl-N-methylpiperidin-4-amine SMILES: CNC1CCN(CC2=CC=CC=C2)CC1
| PubChem CID | 4136128 |
|---|---|
| CAS | 7006-50-0 |
| Molecular Weight (g/mol) | 204.32 |
| MDL Number | MFCD03931054 |
| SMILES | CNC1CCN(CC2=CC=CC=C2)CC1 |
| Synonym | 1-benzyl-piperidin-4-yl-methyl-amine,4-methylamino-1-benzylpiperidine,1-benzyl-4-methylamino piperidine,4-piperidinamine, n-methyl-1-phenylmethyl,1-benzyl-n-methyl-piperidin-4-amine,pubchem7928,benzylmethylpiperidinamine,1-benzyl-4-methylaminopiperidine,4-methylamino-1-benzyl piperidine |
| IUPAC Name | 1-benzyl-N-methylpiperidin-4-amine |
| InChI Key | RGEQSTMITLEXKD-UHFFFAOYSA-N |
| Molecular Formula | C13H20N2 |
5-(2-Furyl)thiophene-2-carboxylic acid, 97%, Thermo Scientific™
CAS: 868755-62-8 Molecular Formula: C9H6O3S Molecular Weight (g/mol): 194.20 MDL Number: MFCD05885497 InChI Key: ZASUJVQPFQRFPQ-UHFFFAOYSA-N Synonym: 5-2-furyl thiophene-2-carboxylic acid,5-furan-2-yl thiophene-2-carboxylic acid,5-fur-2-ylthiophene-2-carboxylic acid,2-thiophenecarboxylicacid, 5-2-furanyl PubChem CID: 2052621 IUPAC Name: 5-(furan-2-yl)thiophene-2-carboxylic acid SMILES: OC(=O)C1=CC=C(S1)C1=CC=CO1
| PubChem CID | 2052621 |
|---|---|
| CAS | 868755-62-8 |
| Molecular Weight (g/mol) | 194.20 |
| MDL Number | MFCD05885497 |
| SMILES | OC(=O)C1=CC=C(S1)C1=CC=CO1 |
| Synonym | 5-2-furyl thiophene-2-carboxylic acid,5-furan-2-yl thiophene-2-carboxylic acid,5-fur-2-ylthiophene-2-carboxylic acid,2-thiophenecarboxylicacid, 5-2-furanyl |
| IUPAC Name | 5-(furan-2-yl)thiophene-2-carboxylic acid |
| InChI Key | ZASUJVQPFQRFPQ-UHFFFAOYSA-N |
| Molecular Formula | C9H6O3S |
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 |
Bathophenanthrolinedisulfonic acid disodium salt trihydrate, ≥98.0% (HPLC), MilliporeSigma™ Supelco™
Synonym: 4,7-Diphenyl-1,10-phenanthroline-disulfonic acid disodium salt trihydrate; Disodium bathophenanthrolinedisulfonate trihydrate
| Synonym | 4,7-Diphenyl-1,10-phenanthroline-disulfonic acid disodium salt trihydrate; Disodium bathophenanthrolinedisulfonate trihydrate |
|---|
Methyl 3-aminopyridine-4-carboxylate, 97%
CAS: 55279-30-6 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.153 MDL Number: MFCD02082535 InChI Key: XLQIGLBALJNHKR-UHFFFAOYSA-N PubChem CID: 1488824 IUPAC Name: methyl 3-aminopyridine-4-carboxylate SMILES: COC(=O)C1=C(C=NC=C1)N
| PubChem CID | 1488824 |
|---|---|
| CAS | 55279-30-6 |
| Molecular Weight (g/mol) | 152.153 |
| MDL Number | MFCD02082535 |
| SMILES | COC(=O)C1=C(C=NC=C1)N |
| IUPAC Name | methyl 3-aminopyridine-4-carboxylate |
| InChI Key | XLQIGLBALJNHKR-UHFFFAOYSA-N |
| Molecular Formula | C7H8N2O2 |
6-Amino-3-cyano-2-methylpyridine, 97%
CAS: 183428-90-2 Molecular Formula: C7H7N3 Molecular Weight (g/mol): 133.154 MDL Number: MFCD05865116 InChI Key: OZAIJUZOQOBQDW-UHFFFAOYSA-N Synonym: 6-amino-2-methylnicotinonitrile,6-amino-3-cyano-2-methylpyridine,2-amino-5-cyano-6-methylpyridine,3-pyridinecarbonitrile, 6-amino-2-methyl,6-amino-2-methyl-nicotinonitrile,pubchem14519,acmc-20ahz0,6-amino-2-methyl-pyridine-3-carbonitrile,6-amino-2-methyl nicotinonitrile,2-methyl-3-cyano-6-amino-pyridine PubChem CID: 2794662 IUPAC Name: 6-amino-2-methylpyridine-3-carbonitrile SMILES: CC1=C(C=CC(=N1)N)C#N
| PubChem CID | 2794662 |
|---|---|
| CAS | 183428-90-2 |
| Molecular Weight (g/mol) | 133.154 |
| MDL Number | MFCD05865116 |
| SMILES | CC1=C(C=CC(=N1)N)C#N |
| Synonym | 6-amino-2-methylnicotinonitrile,6-amino-3-cyano-2-methylpyridine,2-amino-5-cyano-6-methylpyridine,3-pyridinecarbonitrile, 6-amino-2-methyl,6-amino-2-methyl-nicotinonitrile,pubchem14519,acmc-20ahz0,6-amino-2-methyl-pyridine-3-carbonitrile,6-amino-2-methyl nicotinonitrile,2-methyl-3-cyano-6-amino-pyridine |
| IUPAC Name | 6-amino-2-methylpyridine-3-carbonitrile |
| InChI Key | OZAIJUZOQOBQDW-UHFFFAOYSA-N |
| Molecular Formula | C7H7N3 |
1-Ethyl-3-methylimidazolium dicyanamide, 98%
CAS: 370865-89-7 Molecular Formula: C8H11N5 Molecular Weight (g/mol): 177.211 MDL Number: MFCD08276373 InChI Key: MKHFCTXNDRMIDR-UHFFFAOYSA-N Synonym: 1-ethyl-3-methylimidazolium dicyanamide,ethylmethylimidazolium dicyanamide,emim dca,acmc-209iqn,basionics™ vs 03,dsstox_cid_27940,dsstox_rid_82692,dsstox_gsid_47964,ksc221g0h PubChem CID: 11159638 IUPAC Name: cyanoiminomethylideneazanide;1-ethyl-3-methylimidazol-3-ium SMILES: CCN1C=C[N+](=C1)C.C(=[N-])=NC#N
| PubChem CID | 11159638 |
|---|---|
| CAS | 370865-89-7 |
| Molecular Weight (g/mol) | 177.211 |
| MDL Number | MFCD08276373 |
| SMILES | CCN1C=C[N+](=C1)C.C(=[N-])=NC#N |
| Synonym | 1-ethyl-3-methylimidazolium dicyanamide,ethylmethylimidazolium dicyanamide,emim dca,acmc-209iqn,basionics™ vs 03,dsstox_cid_27940,dsstox_rid_82692,dsstox_gsid_47964,ksc221g0h |
| IUPAC Name | cyanoiminomethylideneazanide;1-ethyl-3-methylimidazol-3-ium |
| InChI Key | MKHFCTXNDRMIDR-UHFFFAOYSA-N |
| Molecular Formula | C8H11N5 |
2-Chloro-4-hydroxypyridine, 95%, Thermo Scientific Chemicals
CAS: 17368-12-6 Molecular Formula: C5H4ClNO Molecular Weight (g/mol): 129.543 MDL Number: MFCD01646108 InChI Key: VBEHFOMFHUQAOW-UHFFFAOYSA-N Synonym: 2-chloro-4-hydroxypyridine,2-chloropyridin-4-ol,2-chloro-4-pyridinol,4-pyridinol, 2-chloro,2-chlorpyridin-4-ol,4 1h-pyridinone, 2-chloro,pubchem2578,acmc-1btyf,4-hydroxy-2-chloropyridine PubChem CID: 87010 IUPAC Name: 2-chloro-1H-pyridin-4-one SMILES: C1=CNC(=CC1=O)Cl
| PubChem CID | 87010 |
|---|---|
| CAS | 17368-12-6 |
| Molecular Weight (g/mol) | 129.543 |
| MDL Number | MFCD01646108 |
| SMILES | C1=CNC(=CC1=O)Cl |
| Synonym | 2-chloro-4-hydroxypyridine,2-chloropyridin-4-ol,2-chloro-4-pyridinol,4-pyridinol, 2-chloro,2-chlorpyridin-4-ol,4 1h-pyridinone, 2-chloro,pubchem2578,acmc-1btyf,4-hydroxy-2-chloropyridine |
| IUPAC Name | 2-chloro-1H-pyridin-4-one |
| InChI Key | VBEHFOMFHUQAOW-UHFFFAOYSA-N |
| Molecular Formula | C5H4ClNO |
1-Chlorophthalazin-4-one, 98%
CAS: 2257-69-4 Molecular Formula: C8H5ClN2O Molecular Weight (g/mol): 180.59 MDL Number: MFCD00102192 InChI Key: QCKGMJDOJRNSMS-UHFFFAOYSA-N Synonym: 4-chlorophthalazin-1 2h-one,4-chloro-1,2-dihydrophthalazin-1-one,4-chlorophthalazin-1-ol,1 2h-phthalazinone, 4-chloro,4-chloro-1 2h-phthalazinone,4-chlorophthalazone,4-chloro-1-phthalazinol,4-chlorophthalazin-1-one,1-chlorophthalazin-4-one,1-chlorophthalazine-4-one PubChem CID: 2775142 SMILES: ClC1=NNC(=O)C2=CC=CC=C12
| PubChem CID | 2775142 |
|---|---|
| CAS | 2257-69-4 |
| Molecular Weight (g/mol) | 180.59 |
| MDL Number | MFCD00102192 |
| SMILES | ClC1=NNC(=O)C2=CC=CC=C12 |
| Synonym | 4-chlorophthalazin-1 2h-one,4-chloro-1,2-dihydrophthalazin-1-one,4-chlorophthalazin-1-ol,1 2h-phthalazinone, 4-chloro,4-chloro-1 2h-phthalazinone,4-chlorophthalazone,4-chloro-1-phthalazinol,4-chlorophthalazin-1-one,1-chlorophthalazin-4-one,1-chlorophthalazine-4-one |
| InChI Key | QCKGMJDOJRNSMS-UHFFFAOYSA-N |
| Molecular Formula | C8H5ClN2O |
2-Bromo-4-methylpyridine, 99%
CAS: 4926-28-7 Molecular Formula: C6H6BrN Molecular Weight (g/mol): 172.03 MDL Number: MFCD00082590 InChI Key: LSZMVESSGLHDJE-UHFFFAOYSA-N Synonym: 2-bromo-4-picoline,2-bromo-4-methyl-pyridine,4-methyl-2-bromopyridine,pyridine, 2-bromo-4-methyl,2 bromo-4-methyl pyridine,2-bromo-4-methyl pyridine,pubchem1184,acmc-209kfi,2-bromo4-methylpyridine PubChem CID: 2734087 IUPAC Name: 2-bromo-4-methylpyridine SMILES: CC1=CC=NC(Br)=C1
| PubChem CID | 2734087 |
|---|---|
| CAS | 4926-28-7 |
| Molecular Weight (g/mol) | 172.03 |
| MDL Number | MFCD00082590 |
| SMILES | CC1=CC=NC(Br)=C1 |
| Synonym | 2-bromo-4-picoline,2-bromo-4-methyl-pyridine,4-methyl-2-bromopyridine,pyridine, 2-bromo-4-methyl,2 bromo-4-methyl pyridine,2-bromo-4-methyl pyridine,pubchem1184,acmc-209kfi,2-bromo4-methylpyridine |
| IUPAC Name | 2-bromo-4-methylpyridine |
| InChI Key | LSZMVESSGLHDJE-UHFFFAOYSA-N |
| Molecular Formula | C6H6BrN |
7-Aza-1H-benzotriazol-1-yloxytris(dimethylamino)phosphonium hexafluorophosphate, 98+%, Thermo Scientific™
CAS: 156311-85-2 Molecular Formula: C11H21F6N7OP2 Molecular Weight (g/mol): 443.275 MDL Number: MFCD09263289 InChI Key: RQBNNDQCKMIUQJ-UHFFFAOYSA-N Synonym: 3h-1,2,3 triazolo 4,5-b pyridin-3-yl oxy tris dimethylamino phosphonium hexafluorophosphate v,7-azabenzotriazol-1-yloxytris dimethylamino phosphonium hexafluorophosphate,7-azabenzotriazol-1-yloxytris dimethylamino phosph,7-aza-1h-benzotriazol-1-yloxytris dimethylamino phosphonium hexafluorophosphate,acmc-20alxg,tris dimethylamino 3h-1,2,3-triazolo 4,5-b pyridin-3-yloxy phosphonium hexafluorophosphate,ksc173q2f,7-azabenzotriazol-1-yloxytris dimethyamino phosphonium hexafluorosphate,7-azabenzotriazol-1-yloxy tris dimethylamino phosphonium hexafluorophosphate,7-aza-1h-benzotriazol-1-yloxytris dimethylamino phosphonium hexafluorophosphate, 98+% PubChem CID: 21894514 IUPAC Name: tris(dimethylamino)-(triazolo[4,5-b]pyridin-3-yloxy)phosphanium;hexafluorophosphate SMILES: CN(C)[P+](N(C)C)(N(C)C)ON1C2=C(C=CC=N2)N=N1.F[P-](F)(F)(F)(F)F
| PubChem CID | 21894514 |
|---|---|
| CAS | 156311-85-2 |
| Molecular Weight (g/mol) | 443.275 |
| MDL Number | MFCD09263289 |
| SMILES | CN(C)[P+](N(C)C)(N(C)C)ON1C2=C(C=CC=N2)N=N1.F[P-](F)(F)(F)(F)F |
| Synonym | 3h-1,2,3 triazolo 4,5-b pyridin-3-yl oxy tris dimethylamino phosphonium hexafluorophosphate v,7-azabenzotriazol-1-yloxytris dimethylamino phosphonium hexafluorophosphate,7-azabenzotriazol-1-yloxytris dimethylamino phosph,7-aza-1h-benzotriazol-1-yloxytris dimethylamino phosphonium hexafluorophosphate,acmc-20alxg,tris dimethylamino 3h-1,2,3-triazolo 4,5-b pyridin-3-yloxy phosphonium hexafluorophosphate,ksc173q2f,7-azabenzotriazol-1-yloxytris dimethyamino phosphonium hexafluorosphate,7-azabenzotriazol-1-yloxy tris dimethylamino phosphonium hexafluorophosphate,7-aza-1h-benzotriazol-1-yloxytris dimethylamino phosphonium hexafluorophosphate, 98+% |
| IUPAC Name | tris(dimethylamino)-(triazolo[4,5-b]pyridin-3-yloxy)phosphanium;hexafluorophosphate |
| InChI Key | RQBNNDQCKMIUQJ-UHFFFAOYSA-N |
| Molecular Formula | C11H21F6N7OP2 |
Uracil-5-boronic acid, 95%
CAS: 70523-22-7 Molecular Formula: C4H5BN2O4 Molecular Weight (g/mol): 155.90 MDL Number: MFCD01318983 InChI Key: PVEJOCQTIVCDNO-UHFFFAOYSA-N Synonym: uracil-5-boronic acid,2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl boronic acid,2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinylboronic acid,2,4-dihydroxypyrimidine-5-boronic acid,2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-ylboronic acid,2,4-dihydroxypyrimidin-5-ylboronic acid,2,4-dioxo-1h-pyrimidin-5-yl boronic acid,2,4-dioxo-1,3-dihydropyrimidin-5-ylboronic acid,t6mvmvj ebqq wln,5-dihydroxyboryluracil PubChem CID: 256205 IUPAC Name: (2,4-dioxo-1H-pyrimidin-5-yl)boronic acid SMILES: OB(O)C1=CNC(=O)NC1=O
| PubChem CID | 256205 |
|---|---|
| CAS | 70523-22-7 |
| Molecular Weight (g/mol) | 155.90 |
| MDL Number | MFCD01318983 |
| SMILES | OB(O)C1=CNC(=O)NC1=O |
| Synonym | uracil-5-boronic acid,2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl boronic acid,2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinylboronic acid,2,4-dihydroxypyrimidine-5-boronic acid,2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-ylboronic acid,2,4-dihydroxypyrimidin-5-ylboronic acid,2,4-dioxo-1h-pyrimidin-5-yl boronic acid,2,4-dioxo-1,3-dihydropyrimidin-5-ylboronic acid,t6mvmvj ebqq wln,5-dihydroxyboryluracil |
| IUPAC Name | (2,4-dioxo-1H-pyrimidin-5-yl)boronic acid |
| InChI Key | PVEJOCQTIVCDNO-UHFFFAOYSA-N |
| Molecular Formula | C4H5BN2O4 |
3-Pyrid-4-ylbenzoic acid, 97%, Thermo Scientific™
CAS: 4385-78-8 Molecular Formula: C12H9NO2 Molecular Weight (g/mol): 199.209 InChI Key: IYGIZNZSONLPSI-UHFFFAOYSA-N Synonym: 3-pyridin-4-yl benzoic acid,3-pyridin-4-yl-benzoic acid,3-pyrid-4-ylbenzoic acid,3-4-pyridyl benzoic acid,4-3-carboxyphenyl pyridine,3-4-pyridinyl benzoic acid,3-pyridin-4-yl benzoic acid,benzoic acid,3-4-pyridinyl,5fl PubChem CID: 2795562 IUPAC Name: 3-pyridin-4-ylbenzoic acid SMILES: C1=CC(=CC(=C1)C(=O)O)C2=CC=NC=C2
| PubChem CID | 2795562 |
|---|---|
| CAS | 4385-78-8 |
| Molecular Weight (g/mol) | 199.209 |
| SMILES | C1=CC(=CC(=C1)C(=O)O)C2=CC=NC=C2 |
| Synonym | 3-pyridin-4-yl benzoic acid,3-pyridin-4-yl-benzoic acid,3-pyrid-4-ylbenzoic acid,3-4-pyridyl benzoic acid,4-3-carboxyphenyl pyridine,3-4-pyridinyl benzoic acid,3-pyridin-4-yl benzoic acid,benzoic acid,3-4-pyridinyl,5fl |
| IUPAC Name | 3-pyridin-4-ylbenzoic acid |
| InChI Key | IYGIZNZSONLPSI-UHFFFAOYSA-N |
| Molecular Formula | C12H9NO2 |
Caffeine Anhydrous MP Biomedicals
CAS: 58-08-2 Molecular Formula: C8H10N4O2 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00005758 InChI Key: RYYVLZVUVIJVGH-UHFFFAOYSA-N Synonym: caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep PubChem CID: 2519 ChEBI: CHEBI:27732 IUPAC Name: 1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione SMILES: CN1C=NC2=C1C(=O)N(C)C(=O)N2C
| PubChem CID | 2519 |
|---|---|
| CAS | 58-08-2 |
| Molecular Weight (g/mol) | 194.19 |
| ChEBI | CHEBI:27732 |
| MDL Number | MFCD00005758 |
| SMILES | CN1C=NC2=C1C(=O)N(C)C(=O)N2C |
| Synonym | caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep |
| IUPAC Name | 1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione |
| InChI Key | RYYVLZVUVIJVGH-UHFFFAOYSA-N |
| Molecular Formula | C8H10N4O2 |