Organoheterocyclic compounds
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1,4-Diazabicyclo[2.2.2]octane, 97%
CAS: 280-57-9 Molecular Formula: C6H12N2 Molecular Weight (g/mol): 112.17 MDL Number: MFCD00006689 InChI Key: IMNIMPAHZVJRPE-UHFFFAOYSA-N Synonym: 1,4-diazabicyclo 2.2.2 octane,triethylenediamine,dabco,dabco 33lv,1,4-ethylenepiperazine,dabco crystal,teda,texacat td 100,dabco s-25 PubChem CID: 9237 IUPAC Name: 1,4-diazabicyclo[2.2.2]octane SMILES: C1CN2CCN1CC2
| PubChem CID | 9237 |
|---|---|
| CAS | 280-57-9 |
| Molecular Weight (g/mol) | 112.17 |
| MDL Number | MFCD00006689 |
| SMILES | C1CN2CCN1CC2 |
| Synonym | 1,4-diazabicyclo 2.2.2 octane,triethylenediamine,dabco,dabco 33lv,1,4-ethylenepiperazine,dabco crystal,teda,texacat td 100,dabco s-25 |
| IUPAC Name | 1,4-diazabicyclo[2.2.2]octane |
| InChI Key | IMNIMPAHZVJRPE-UHFFFAOYSA-N |
| Molecular Formula | C6H12N2 |
Pyridine N-oxide, 95%
CAS: 694-59-7 Molecular Formula: C5H5NO Molecular Weight (g/mol): 95.101 MDL Number: MFCD00006194 InChI Key: ILVXOBCQQYKLDS-UHFFFAOYSA-N Synonym: pyridine-n-oxide,pyridine 1-oxide,pyridine n-oxide,pyridine oxide,pyridine, 1-oxide,pyridine-1-oxide,unii-91f12jjj4h,py n-oxide,pyridin-1-ium-1-olate,pyridine-oxide PubChem CID: 12753 ChEBI: CHEBI:29136 IUPAC Name: 1-oxidopyridin-1-ium SMILES: C1=CC=[N+](C=C1)[O-]
| PubChem CID | 12753 |
|---|---|
| CAS | 694-59-7 |
| Molecular Weight (g/mol) | 95.101 |
| ChEBI | CHEBI:29136 |
| MDL Number | MFCD00006194 |
| SMILES | C1=CC=[N+](C=C1)[O-] |
| Synonym | pyridine-n-oxide,pyridine 1-oxide,pyridine n-oxide,pyridine oxide,pyridine, 1-oxide,pyridine-1-oxide,unii-91f12jjj4h,py n-oxide,pyridin-1-ium-1-olate,pyridine-oxide |
| IUPAC Name | 1-oxidopyridin-1-ium |
| InChI Key | ILVXOBCQQYKLDS-UHFFFAOYSA-N |
| Molecular Formula | C5H5NO |
2-Amino-3-(trifluoromethyl)pyridine, 97%
CAS: 183610-70-0 Molecular Formula: C6H5F3N2 Molecular Weight (g/mol): 162.12 MDL Number: MFCD04972538 InChI Key: YWOWJQMFMXHLQD-UHFFFAOYSA-N Synonym: 2-amino-3-trifluoromethyl pyridine,3-trifluoromethyl pyridin-2-amine,3-trifluoromethyl-2-pyridinamine,2-amino-3-trifluoromethylpyridine,3-trifluoromethyl-pyridin-2-ylamine,2-pyridinamine, 3-trifluoromethyl,3-trifluoromethyl-2-pyridylamine,pubchem9819,acmc-1c6sx,ksc495e5p PubChem CID: 2760920 IUPAC Name: 3-(trifluoromethyl)pyridin-2-amine SMILES: NC1=C(C=CC=N1)C(F)(F)F
| PubChem CID | 2760920 |
|---|---|
| CAS | 183610-70-0 |
| Molecular Weight (g/mol) | 162.12 |
| MDL Number | MFCD04972538 |
| SMILES | NC1=C(C=CC=N1)C(F)(F)F |
| Synonym | 2-amino-3-trifluoromethyl pyridine,3-trifluoromethyl pyridin-2-amine,3-trifluoromethyl-2-pyridinamine,2-amino-3-trifluoromethylpyridine,3-trifluoromethyl-pyridin-2-ylamine,2-pyridinamine, 3-trifluoromethyl,3-trifluoromethyl-2-pyridylamine,pubchem9819,acmc-1c6sx,ksc495e5p |
| IUPAC Name | 3-(trifluoromethyl)pyridin-2-amine |
| InChI Key | YWOWJQMFMXHLQD-UHFFFAOYSA-N |
| Molecular Formula | C6H5F3N2 |
5-Cyano-2-methylpyridine, 99%
CAS: 3222-48-8 Molecular Formula: C7H6N2 Molecular Weight (g/mol): 118.139 MDL Number: MFCD00038042 InChI Key: PBLOYQAQGYUPCM-UHFFFAOYSA-N Synonym: 5-cyano-2-picoline,5-cyano-2-methylpyridine,6-methylnicotinonitrile,6-methyl-3-pyridinecarbonitrile,3-cyano-6-methylpyridine,3-pyridinecarbonitrile, 6-methyl,pubchem6695,2-methyl-5-cyanopyridine,6-methylnicotinonitrile #,acmc-209z1l PubChem CID: 281995 IUPAC Name: 6-methylpyridine-3-carbonitrile SMILES: CC1=NC=C(C=C1)C#N
| PubChem CID | 281995 |
|---|---|
| CAS | 3222-48-8 |
| Molecular Weight (g/mol) | 118.139 |
| MDL Number | MFCD00038042 |
| SMILES | CC1=NC=C(C=C1)C#N |
| Synonym | 5-cyano-2-picoline,5-cyano-2-methylpyridine,6-methylnicotinonitrile,6-methyl-3-pyridinecarbonitrile,3-cyano-6-methylpyridine,3-pyridinecarbonitrile, 6-methyl,pubchem6695,2-methyl-5-cyanopyridine,6-methylnicotinonitrile #,acmc-209z1l |
| IUPAC Name | 6-methylpyridine-3-carbonitrile |
| InChI Key | PBLOYQAQGYUPCM-UHFFFAOYSA-N |
| Molecular Formula | C7H6N2 |
Uracil 98.0+%, TCI America™
CAS: 66-22-8 Molecular Formula: C4H4N2O2 Molecular Weight (g/mol): 112.09 MDL Number: MFCD00006016 InChI Key: ISAKRJDGNUQOIC-UHFFFAOYSA-N Synonym: uracil,2,4-dihydroxypyrimidine,2,4 1h,3h-pyrimidinedione,2,4-pyrimidinediol,2,4-dioxopyrimidine,pyrimidine-2,4 1h,3h-dione,pirod,2,4-pyrimidinedione,pyrod,hybar x PubChem CID: 1174 ChEBI: CHEBI:17568 IUPAC Name: 1,2,3,4-tetrahydropyrimidine-2,4-dione SMILES: O=C1NC=CC(=O)N1
| PubChem CID | 1174 |
|---|---|
| CAS | 66-22-8 |
| Molecular Weight (g/mol) | 112.09 |
| ChEBI | CHEBI:17568 |
| MDL Number | MFCD00006016 |
| SMILES | O=C1NC=CC(=O)N1 |
| Synonym | uracil,2,4-dihydroxypyrimidine,2,4 1h,3h-pyrimidinedione,2,4-pyrimidinediol,2,4-dioxopyrimidine,pyrimidine-2,4 1h,3h-dione,pirod,2,4-pyrimidinedione,pyrod,hybar x |
| IUPAC Name | 1,2,3,4-tetrahydropyrimidine-2,4-dione |
| InChI Key | ISAKRJDGNUQOIC-UHFFFAOYSA-N |
| Molecular Formula | C4H4N2O2 |
Dibromoisocyanuric Acid 97.0+%, TCI America™
CAS: 15114-43-9 Molecular Formula: C3HBr2N3O3 Molecular Weight (g/mol): 286.867 MDL Number: MFCD00463941 InChI Key: HHBCEKAWSILOOP-UHFFFAOYSA-N Synonym: 1,3-Dibromo-1,3,5-triazine-2,4,6-trione, DBI PubChem CID: 192912 IUPAC Name: 1,3-dibromo-1,3,5-triazinane-2,4,6-trione SMILES: C1(=O)NC(=O)N(C(=O)N1Br)Br
| PubChem CID | 192912 |
|---|---|
| CAS | 15114-43-9 |
| Molecular Weight (g/mol) | 286.867 |
| MDL Number | MFCD00463941 |
| SMILES | C1(=O)NC(=O)N(C(=O)N1Br)Br |
| Synonym | 1,3-Dibromo-1,3,5-triazine-2,4,6-trione, DBI |
| IUPAC Name | 1,3-dibromo-1,3,5-triazinane-2,4,6-trione |
| InChI Key | HHBCEKAWSILOOP-UHFFFAOYSA-N |
| Molecular Formula | C3HBr2N3O3 |
Thermo Scientific Chemicals Adenine hydrochloride, 98+%, cont. up to ca 5% water
CAS: 2922-28-3 Molecular Formula: C5H6ClN5 Molecular Weight (g/mol): 171.59 MDL Number: MFCD00038990 InChI Key: UQVDQSWZQXDUJB-UHFFFAOYSA-N Synonym: adenine hydrochloride,7h-purin-6-amine hydrochloride,6-aminopurine hydrochloride,1h-purin-6-amine, monohydrochloride,adenine monohydrochloride,unii-364h11m7od,adenine hcl,1h-purin-6-amine, hydrochloride,9h-purin-6-amine, hydrochloride 1:?,9h-purin-6-amine, hydrochloride 1:1 PubChem CID: 76219 IUPAC Name: 7H-purin-6-amine;hydrochloride SMILES: Cl.NC1=C2NC=NC2=NC=N1
| PubChem CID | 76219 |
|---|---|
| CAS | 2922-28-3 |
| Molecular Weight (g/mol) | 171.59 |
| MDL Number | MFCD00038990 |
| SMILES | Cl.NC1=C2NC=NC2=NC=N1 |
| Synonym | adenine hydrochloride,7h-purin-6-amine hydrochloride,6-aminopurine hydrochloride,1h-purin-6-amine, monohydrochloride,adenine monohydrochloride,unii-364h11m7od,adenine hcl,1h-purin-6-amine, hydrochloride,9h-purin-6-amine, hydrochloride 1:?,9h-purin-6-amine, hydrochloride 1:1 |
| IUPAC Name | 7H-purin-6-amine;hydrochloride |
| InChI Key | UQVDQSWZQXDUJB-UHFFFAOYSA-N |
| Molecular Formula | C5H6ClN5 |
2-Methyl-2-oxazoline, 99%
CAS: 1120-64-5 Molecular Formula: C4H7NO Molecular Weight (g/mol): 85.11 MDL Number: MFCD00005298 InChI Key: GUXJXWKCUUWCLX-UHFFFAOYSA-N Synonym: 2-methyl-2-oxazoline,2-methyloxazoline,2-methyl-4,5-dihydrooxazole,oxazole, 4,5-dihydro-2-methyl,2-methyl-2-oxazolin,2-methyl-1,3-oxazoline,2-oxazoline, 2-methyl,4,5-dihydro-2-methyl-1,3-oxazole,poly 2-methyl-2-oxazoline,methyl oxazoline PubChem CID: 70713 ChEBI: CHEBI:53614 IUPAC Name: 2-methyl-4,5-dihydro-1,3-oxazole SMILES: CC1=NCCO1
| PubChem CID | 70713 |
|---|---|
| CAS | 1120-64-5 |
| Molecular Weight (g/mol) | 85.11 |
| ChEBI | CHEBI:53614 |
| MDL Number | MFCD00005298 |
| SMILES | CC1=NCCO1 |
| Synonym | 2-methyl-2-oxazoline,2-methyloxazoline,2-methyl-4,5-dihydrooxazole,oxazole, 4,5-dihydro-2-methyl,2-methyl-2-oxazolin,2-methyl-1,3-oxazoline,2-oxazoline, 2-methyl,4,5-dihydro-2-methyl-1,3-oxazole,poly 2-methyl-2-oxazoline,methyl oxazoline |
| IUPAC Name | 2-methyl-4,5-dihydro-1,3-oxazole |
| InChI Key | GUXJXWKCUUWCLX-UHFFFAOYSA-N |
| Molecular Formula | C4H7NO |
2-Ethyl-2-oxazoline, 99%
CAS: 10431-98-8 Molecular Formula: C5H9NO Molecular Weight (g/mol): 99.13 MDL Number: MFCD00005302 InChI Key: NYEZZYQZRQDLEH-UHFFFAOYSA-N Synonym: 2-ethyl-2-oxazoline,2-ethyloxazoline,2-ethyl-4,5-dihydrooxazole,oxazole, 2-ethyl-4,5-dihydro,2-oxazoline, 2-ethyl,unii-b8cd92t4p5,unii-jm7uh9q3yn,unii-hnx7574gtx,unii-s5dpg6k67i,ethyl oxazoline PubChem CID: 66412 IUPAC Name: 2-ethyl-4,5-dihydro-1,3-oxazole SMILES: CCC1=NCCO1
| PubChem CID | 66412 |
|---|---|
| CAS | 10431-98-8 |
| Molecular Weight (g/mol) | 99.13 |
| MDL Number | MFCD00005302 |
| SMILES | CCC1=NCCO1 |
| Synonym | 2-ethyl-2-oxazoline,2-ethyloxazoline,2-ethyl-4,5-dihydrooxazole,oxazole, 2-ethyl-4,5-dihydro,2-oxazoline, 2-ethyl,unii-b8cd92t4p5,unii-jm7uh9q3yn,unii-hnx7574gtx,unii-s5dpg6k67i,ethyl oxazoline |
| IUPAC Name | 2-ethyl-4,5-dihydro-1,3-oxazole |
| InChI Key | NYEZZYQZRQDLEH-UHFFFAOYSA-N |
| Molecular Formula | C5H9NO |
Bicinchoninic acid disodium salt
CAS: 979-88-4 Molecular Formula: C20H10N2Na2O4 Molecular Weight (g/mol): 388.29 MDL Number: MFCD00037500 InChI Key: AUPXFICLXPLHBB-UHFFFAOYSA-L Synonym: sodium 2,2'-biquinoline-4,4'-dicarboxylate,2,2'-biquinoline-4,4-dicarboxylic acid disodium salt,2,2'-biquinoline-4,4'-dicarboxylic acid, disodium salt,sodium bicinchoninate,2,2'-biquinoline-4,4'-dicarboxylic acid disodium salt,disodium 2,2'-biquinoline-4,4'-dicarboxylate,bicinchoninic acid disodium salt,bca,2,2'-biquinoline-4,4'-dicarboxylic acid, sodium salt 1:2 PubChem CID: 164763 SMILES: [Na+].[Na+].[O-]C(=O)C1=C2C=CC=CC2=NC(=C1)C1=CC(C([O-])=O)=C2C=CC=CC2=N1
| PubChem CID | 164763 |
|---|---|
| CAS | 979-88-4 |
| Molecular Weight (g/mol) | 388.29 |
| MDL Number | MFCD00037500 |
| SMILES | [Na+].[Na+].[O-]C(=O)C1=C2C=CC=CC2=NC(=C1)C1=CC(C([O-])=O)=C2C=CC=CC2=N1 |
| Synonym | sodium 2,2'-biquinoline-4,4'-dicarboxylate,2,2'-biquinoline-4,4-dicarboxylic acid disodium salt,2,2'-biquinoline-4,4'-dicarboxylic acid, disodium salt,sodium bicinchoninate,2,2'-biquinoline-4,4'-dicarboxylic acid disodium salt,disodium 2,2'-biquinoline-4,4'-dicarboxylate,bicinchoninic acid disodium salt,bca,2,2'-biquinoline-4,4'-dicarboxylic acid, sodium salt 1:2 |
| InChI Key | AUPXFICLXPLHBB-UHFFFAOYSA-L |
| Molecular Formula | C20H10N2Na2O4 |
Praziquantel, 98%
CAS: 55268-74-1 Molecular Formula: C19H24N2O2 Molecular Weight (g/mol): 312.413 MDL Number: MFCD00058531 InChI Key: FSVJFNAIGNNGKK-UHFFFAOYSA-N Synonym: praziquantel,droncit,biltricide,pyquiton,cesol,azinox,embay 8440,cutter tape tabs,prasiquantel,praziquantelum PubChem CID: 4891 IUPAC Name: 2-(cyclohexanecarbonyl)-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one SMILES: C1CCC(CC1)C(=O)N2CC3C4=CC=CC=C4CCN3C(=O)C2
| PubChem CID | 4891 |
|---|---|
| CAS | 55268-74-1 |
| Molecular Weight (g/mol) | 312.413 |
| MDL Number | MFCD00058531 |
| SMILES | C1CCC(CC1)C(=O)N2CC3C4=CC=CC=C4CCN3C(=O)C2 |
| Synonym | praziquantel,droncit,biltricide,pyquiton,cesol,azinox,embay 8440,cutter tape tabs,prasiquantel,praziquantelum |
| IUPAC Name | 2-(cyclohexanecarbonyl)-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one |
| InChI Key | FSVJFNAIGNNGKK-UHFFFAOYSA-N |
| Molecular Formula | C19H24N2O2 |
4-(4-Dimethylaminophenylazo)benzoic acid sodium salt, indicator grade, Thermo Scientific Chemicals
CAS: 845-46-5 Molecular Formula: C15H14N3NaO2 Molecular Weight (g/mol): 291.286 MDL Number: MFCD00020350 InChI Key: OSCKRHPYZNTEIO-UHFFFAOYSA-M Synonym: p-p-dimethylaminophenylazo benzoic acid sodium salt,4-4-dimethylaminophenylazo benzoic acid sodium salt,benzoic acid, 4-4-dimethylamino phenyl azo-, sodium salt,benzoic acid, p-p-dimethylamino phenyl azo-, sodium salt,benzoic acid, 4-2-4-dimethylamino phenyl diazenyl-, sodium salt 1:1,sodium 4-4-dimethylaminophenylazo benzoate,4-e-4-dimethylaminophenyl azo benzoic acid PubChem CID: 23674498 IUPAC Name: sodium;4-[[4-(dimethylamino)phenyl]diazenyl]benzoate SMILES: CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)C(=O)[O-].[Na+]
| PubChem CID | 23674498 |
|---|---|
| CAS | 845-46-5 |
| Molecular Weight (g/mol) | 291.286 |
| MDL Number | MFCD00020350 |
| SMILES | CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)C(=O)[O-].[Na+] |
| Synonym | p-p-dimethylaminophenylazo benzoic acid sodium salt,4-4-dimethylaminophenylazo benzoic acid sodium salt,benzoic acid, 4-4-dimethylamino phenyl azo-, sodium salt,benzoic acid, p-p-dimethylamino phenyl azo-, sodium salt,benzoic acid, 4-2-4-dimethylamino phenyl diazenyl-, sodium salt 1:1,sodium 4-4-dimethylaminophenylazo benzoate,4-e-4-dimethylaminophenyl azo benzoic acid |
| IUPAC Name | sodium;4-[[4-(dimethylamino)phenyl]diazenyl]benzoate |
| InChI Key | OSCKRHPYZNTEIO-UHFFFAOYSA-M |
| Molecular Formula | C15H14N3NaO2 |
Atropine 99.0+%, TCI America™
CAS: 51-55-8 Molecular Formula: C17H23NO3 Molecular Weight (g/mol): 289.375 MDL Number: MFCD00022622 InChI Key: RKUNBYITZUJHSG-PJPHBNEVSA-N Synonym: r-atropine,+-atropine,+-hyoscyamine,hyoscyamine,tropan-3alpha-yl 2r-3-hydroxy-2-phenylpropanoate,3-endo-8-methyl-8-azabicyclo 3.2.1 oct-3-yl 2r-3-hydroxy-2-phenylpropanoate,atropine sulfate,unii-v3203si72m,1s,5r-8-methyl-8-azabicyclo 3.2.1 octan-3-yl 2r-3-hydroxy-2-phenylpropanoate,prestwick0_000233 PubChem CID: 174174 IUPAC Name: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate SMILES: CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3
| PubChem CID | 174174 |
|---|---|
| CAS | 51-55-8 |
| Molecular Weight (g/mol) | 289.375 |
| MDL Number | MFCD00022622 |
| SMILES | CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3 |
| Synonym | r-atropine,+-atropine,+-hyoscyamine,hyoscyamine,tropan-3alpha-yl 2r-3-hydroxy-2-phenylpropanoate,3-endo-8-methyl-8-azabicyclo 3.2.1 oct-3-yl 2r-3-hydroxy-2-phenylpropanoate,atropine sulfate,unii-v3203si72m,1s,5r-8-methyl-8-azabicyclo 3.2.1 octan-3-yl 2r-3-hydroxy-2-phenylpropanoate,prestwick0_000233 |
| IUPAC Name | [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate |
| InChI Key | RKUNBYITZUJHSG-PJPHBNEVSA-N |
| Molecular Formula | C17H23NO3 |
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-Phenylquinoline-4-carboxylic acid, 99%
CAS: 132-60-5 Molecular Formula: C16H11NO2 Molecular Weight (g/mol): 249.269 MDL Number: MFCD00006750 InChI Key: YTRMTPPVNRALON-UHFFFAOYSA-N Synonym: cinchophen,tervalon,2-phenyl-4-quinolinecarboxylic acid,cinchophene,cinconal,phenoquin,quinofen,quinophan,quinophen,atofan PubChem CID: 8593 IUPAC Name: 2-phenylquinoline-4-carboxylic acid SMILES: C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O
| PubChem CID | 8593 |
|---|---|
| CAS | 132-60-5 |
| Molecular Weight (g/mol) | 249.269 |
| MDL Number | MFCD00006750 |
| SMILES | C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O |
| Synonym | cinchophen,tervalon,2-phenyl-4-quinolinecarboxylic acid,cinchophene,cinconal,phenoquin,quinofen,quinophan,quinophen,atofan |
| IUPAC Name | 2-phenylquinoline-4-carboxylic acid |
| InChI Key | YTRMTPPVNRALON-UHFFFAOYSA-N |
| Molecular Formula | C16H11NO2 |