Organoheterocyclic compounds
3-Methylxanthine, 99.43%, For HPLC analysis, MP Biomedicals™
CAS: 1076-22-8 Molecular Formula: C6H6N4O2 Molecular Weight (g/mol): 166.14 InChI Key: GMSNIKWWOQHZGF-UHFFFAOYSA-N Synonym: 3-methylxanthine,3-methyl-1h-purine-2,6 3h,7h-dione,2,6-dihydroxy-3-methylpurine,xanthine, 3-methyl,3 mx,3-methyl xanthine,1h-purine-2,6-dione, 3,7-dihydro-3-methyl,unii-ws6x982oec,3-methyl-2,3,6,7-tetrahydro-1h-purine-2,6-dione,ccris 5817 PubChem CID: 70639 ChEBI: CHEBI:62207 IUPAC Name: 3-methyl-7H-purine-2,6-dione SMILES: CN1C2=C(C(=O)NC1=O)NC=N2
2-Thiopheneethanol, 98%
CAS: 5402-55-1 Molecular Formula: C6H8OS Molecular Weight (g/mol): 128.19 MDL Number: MFCD00005462 InChI Key: VMJOFTHFJMLIKL-UHFFFAOYSA-N Synonym: 2-thiopheneethanol,2-2-thienyl ethanol,thiophene-2-ethanol,2-thiophen-2-yl ethanol,2-2-hydroxyethyl thiophene,2-thiophen-2-yl ethan-1-ol,ethanol, 2-2-thienyl,2-thiophenethanol,2-2-thienyl-ethanol,2-thienylethanol PubChem CID: 79400 IUPAC Name: 2-thiophen-2-ylethanol SMILES: OCCC1=CC=CS1
1-Methylpyrrole, 99%
CAS: 96-54-8 Molecular Formula: C5H7N Molecular Weight (g/mol): 81.118 MDL Number: MFCD00005345 InChI Key: OXHNLMTVIGZXSG-UHFFFAOYSA-N Synonym: 1-methyl-1h-pyrrole,n-methylpyrrole,n-methyl pyrrole,1h-pyrrole, 1-methyl,pyrrole, 1-methyl,methylpyrrole,n-methylpyrrol,1-methylpyrrol,unii-ng5gpn98zg,ccris 2934 PubChem CID: 7304 IUPAC Name: 1-methylpyrrole SMILES: CN1C=CC=C1
5-Phenyl-1H-tetrazole, 99%
CAS: 18039-42-4 Molecular Formula: C7H6N4 Molecular Weight (g/mol): 146.153 MDL Number: MFCD00022388 InChI Key: MARUHZGHZWCEQU-UHFFFAOYSA-N Synonym: 5-phenyl-1h-tetrazole,5-phenyltetrazole,1h-tetrazole, 5-phenyl,2h-tetrazole, 5-phenyl,phenyltetrazole,5-phenyl tetrazole,expandex 5pt,expandex ox 5pt,kempore 50xpt,5-phenyltetrazole van PubChem CID: 87425 IUPAC Name: 5-phenyl-2H-tetrazole SMILES: C1=CC=C(C=C1)C2=NNN=N2
Theophylline, 99.51%, MP Biomedicals™
CAS: 58-55-9 Molecular Formula: C7H8N4O2 Molecular Weight (g/mol): 180.167 InChI Key: ZFXYFBGIUFBOJW-UHFFFAOYSA-N Synonym: theophylline,1,3-dimethylxanthine,elixophyllin,theophyllin,theolair,nuelin,theophylline anhydrous,respbid,theocin,theo-dur PubChem CID: 2153 ChEBI: CHEBI:28177 IUPAC Name: 1,3-dimethyl-7H-purine-2,6-dione SMILES: CN1C2=C(C(=O)N(C1=O)C)NC=N2
Ethyl 2-aminothiazole-4-carboxylate, 98%, Thermo Scientific Chemicals
CAS: 5398-36-7 Molecular Formula: C6H8N2O2S Molecular Weight (g/mol): 172.202 MDL Number: MFCD00619079 InChI Key: XHFUVBWCMLLKOZ-UHFFFAOYSA-N Synonym: ethyl 2-aminothiazole-4-carboxylate,2-amino-thiazole-4-carboxylic acid ethyl ester,ethyl 2-amino-4-thiazolecarboxylate,4-thiazolecarboxylic acid, 2-amino-, ethyl ester,ethyl 2-amino-4-thiazoleformate,2-amino-4-ethoxycarbonylthiazole,2-aminothiazole-4-ethyl formate,2-aminothiazole-4-carboxylic acid ethyl ester,ethyl-2-aminothiazole-4-carboxylate,ethyl-2-aminothiazole-4-carboxylic acid PubChem CID: 73216 IUPAC Name: ethyl 2-amino-1,3-thiazole-4-carboxylate SMILES: CCOC(=O)C1=CSC(=N1)N
4,5-Imidazoledicarboxylic acid, 99%, Thermo Scientific Chemicals
CAS: 570-22-9 Molecular Formula: C5H4N2O4 Molecular Weight (g/mol): 156.10 MDL Number: MFCD00005200 InChI Key: ZEVWQFWTGHFIDH-UHFFFAOYSA-N Synonym: 4,5-imidazoledicarboxylic acid,imidazole-4,5-dicarboxylic acid,glyoxalinedicarboxylic acid,4,5-dicarboxyimidazole,4,5-imidazoledicarboxylate,glycoxalinedicarboxylic acid,alpha-beta-imidazolecarboxylic acid,alpha,beta-imidazoledicarboxylic acid,4.5-imidazoledicarboxylic acid,4,5-imidazole dicarboxylic acid PubChem CID: 68442 IUPAC Name: 1H-imidazole-4,5-dicarboxylic acid SMILES: OC(=O)C1=C(N=CN1)C(O)=O
![4-[2-(6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolinyl)ethyl]aniline, 97%](https://assets.fishersci.com/TFS-Assets/CCG/Chemical-Structures/chemical-structure-cas-82925-02-8.jpg-250.jpg)
4-[2-(6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolinyl)ethyl]aniline, 97%
CAS: 82925-02-8 Molecular Formula: C19H24N2O2 Molecular Weight (g/mol): 312.41 MDL Number: MFCD04974539 InChI Key: DGOOLMGPMIHRFY-UHFFFAOYSA-N Synonym: 4-2-6,7-dimethoxy-3,4-dihydroisoquinolin-2 1h-yl ethyl aniline,4-2-6,7-dimethoxy-1,2,3,4-tetrahydro-2-isoquinolinyl ethyl aniline,4-2-3,4-dihydro-6,7-dimethoxy-2 1h-isoquinolinyl ethyl-benzenamine,4-2-6,7-dimethoxy-3,4-dihydro-1h-isoquinolin-2-yl ethyl aniline,benzenamine,4-2-3,4-dihydro-6,7-dimethoxy-2 1h-isoquinolinyl ethyl,4-2-6,7-dimethoxy-3,4-dihydroisoquinoline-2 1h-yl-ethyl-benzenamine,4-2-1,2,3,4-tetrahydro-6,7-dimethoxy-2-isoquinolyl ethyl benzenamine,4-2-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-2-yl ethyl benzenamine,4-2-6,7-dimethoxy-3,4-dihydroisoquinolin-2 1h-yl ethyl benzenamine PubChem CID: 10041227 IUPAC Name: 4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]aniline SMILES: COC1=C(OC)C=C2CN(CCC3=CC=C(N)C=C3)CCC2=C1
1-n-Hexyl-3-methylimidazolium iodide, 98%
CAS: 178631-05-5 Molecular Formula: C10H19IN2 Molecular Weight (g/mol): 294.18 MDL Number: MFCD12964976 InChI Key: CZIUVCSYOGFUPH-UHFFFAOYSA-M Synonym: 1-hexyl-3-methylimidazolium iodide,1-hexyl-3-methyl-1h-imidazol-3-ium iodide,1-n-hexyl-3-methylimidazolium iodide,dsstox_cid_27927,dsstox_rid_82680,dsstox_gsid_47951,1-methyl-3-hexylimidazolium iodide,1-hexyl-3-me-thylimidazolium iodide,1h-imidazolium,1-hexyl-3-methyl-,iodide,1-hexyl-3-methylimidazolium iodide hplc PubChem CID: 12036651 IUPAC Name: 1-hexyl-3-methylimidazol-3-ium;iodide SMILES: CCCCCCN1C=C[N+](=C1)C.[I-]
2,2-Dimethyl-3,4-dihydro-2H-1,4-benzoxazine, 97%
CAS: 866089-28-3 Molecular Formula: C10H13NO Molecular Weight (g/mol): 163.22 MDL Number: MFCD11603419 InChI Key: WILBVUMFTFLAHJ-UHFFFAOYSA-N Synonym: 2,2-dimethyl-3,4-dihydro-2h-1,4-benzoxazine,2,2-dimethyl-3,4-dihydro-2h-benzo b 1,4 oxazine,2h-1,4-benzoxazine,3,4-dihydro-2,2-dimethyl,2,2-dimethyl-3,4-dihydro-2h-benzo 1,4 oxazine,2h-1,4-benzoxazine, 3,4-dihydro-2,2-dimethyl PubChem CID: 23587101 IUPAC Name: 2,2-dimethyl-3,4-dihydro-1,4-benzoxazine SMILES: CC1(CNC2=CC=CC=C2O1)C
4-(2-Fluoro-4-nitrophenyl)morpholine, 98%
CAS: 2689-39-6 Molecular Formula: C10H11FN2O3 Molecular Weight (g/mol): 226.21 MDL Number: MFCD03138381 InChI Key: ZEQCFSSBZPZEFJ-UHFFFAOYSA-N Synonym: 4-2-fluoro-4-nitrophenyl morpholine,morpholine, 4-2-fluoro-4-nitrophenyl,4-2-fluoro-4-nitro-phenyl-morpholine,3-fluoro-4-morpholinonitrobenzene,acmc-209gtt,cambridge id 6614516,3fluoro-4-morpholinonitrobenzene,3-fluoro-4-morpholinyl nitrobenzene,3-fluoro-4-morpholinyl-nitrobenzene,1-fluoro-2-morpholino-5-nitrobenzene PubChem CID: 2905489 IUPAC Name: 4-(2-fluoro-4-nitrophenyl)morpholine SMILES: [O-][N+](=O)C1=CC(F)=C(C=C1)N1CCOCC1
5-Formyl-2,4-dimethylpyrrole-3-carboxylic acid, 96%
CAS: 253870-02-9 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.164 MDL Number: MFCD06202342 InChI Key: YCIHQDVIAISDPS-UHFFFAOYSA-N Synonym: 5-formyl-2,4-dimethylpyrrole-3-carboxylic acid,2,4-dimethyl-5-formylpyrrole-3-carboxylic acid,3,5-dimethyl-2-formylpyrrole-4-carboxylic acid,1h-pyrrole-3-carboxylic acid, 5-formyl-2,4-dimethyl,5-formyl-2,4-dimethyl-1h-pyrrole-3-carboxylicacid,3,5-dimethyl-2-formyl-1h-pyrrole-4-carboxylic acid,3,5-dimethyl-2-formylindole-4-carboxylic acid,zlchem 714,pubchem9414,acmc-209zxq PubChem CID: 11073792 IUPAC Name: 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid SMILES: CC1=C(NC(=C1C(=O)O)C)C=O
4-(4-Fluorobenzyl)piperidine hydrochloride, 97%
CAS: 193357-52-7 Molecular Formula: C12H17ClFN Molecular Weight (g/mol): 229.72 MDL Number: MFCD03840140 InChI Key: OJKWWANXBGLGQN-UHFFFAOYSA-N Synonym: 4-4-fluorobenzyl piperidine hydrochloride,4-4-fluorobenzyl piperidine hcl,4-4-fluoro-benzyl-piperidine hydrochloride,4-4'-fluorobenzyl piperidine hydrochloride,piperidine, 4-4-fluorophenyl methyl-, hydrochloride,4-4-fluorophenyl methyl piperidine hydrochloride,4-4-fluorobenzyl piperidine hydrochloride salt,4-4-fluorobenzyl piperidine hydrobromide,4-4-fluorobenzyl piperidinehydrochloride,4-4-fluorobenzyl-piperidine hydrochloride PubChem CID: 17039492 SMILES: Cl.FC1=CC=C(CC2CCNCC2)C=C1
5-Amino-3-methyl-1-phenyl-1H-pyrazole, ≥99%, Thermo Scientific Chemicals
CAS: 1131-18-6 Molecular Formula: C10H11N3 Molecular Weight (g/mol): 173.219 MDL Number: MFCD00020727 InChI Key: FMKMKBLHMONXJM-UHFFFAOYSA-N Synonym: 3-methyl-1-phenyl-1h-pyrazol-5-amine,5-amino-3-methyl-1-phenylpyrazole,1h-pyrazol-5-amine, 3-methyl-1-phenyl,1-phenyl-3-methyl-5-aminopyrazole,3-methyl-1-phenylpyrazol-5-ylamine,5-methyl-2-phenyl-2h-pyrazol-3-ylamine,1-phenyl-3-methyl-5-amino pyrazole,unii-x6087geb2p,pyrazole, 5-amino-3-methyl-1-phenyl,1h-pyrazole-5-amine, 3-methyl-1-phenyl PubChem CID: 70801 IUPAC Name: 5-methyl-2-phenylpyrazol-3-amine SMILES: CC1=NN(C(=C1)N)C2=CC=CC=C2
1-Methyl-3-n-octylimidazolium bis(trifluoromethylsulfonyl)imide, 99%
CAS: 178631-04-4 Molecular Formula: C14H23F6N3O4S2 Molecular Weight (g/mol): 475.465 MDL Number: MFCD08458946 InChI Key: LECQXINNQGHJBM-UHFFFAOYSA-N Synonym: 1-methyl-3-octylimidazolium bis trifluoromethylsulfonyl imide,dsstox_cid_27931,dsstox_rid_82684,dsstox_gsid_47955,1-octyl-3-methylimidazolium; bistriflylimide anion,1-n-octyl-3-methylimidazolium bis trifluoromethylsulfonyl imide,1-octyl-3-methylimidazolium bis trifluoromethylsulfonyl imide,1-methyl-3-n-octylimidazolium bis trifluoromethanesulfonyl imide PubChem CID: 12184591 IUPAC Name: bis(trifluoromethylsulfonyl)azanide;1-methyl-3-octylimidazol-1-ium SMILES: CCCCCCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F