Organoheterocyclic compounds
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Adenine hydrochloride, 99.20%, MP Biomedicals™
CAS: 6055-72-7 Molecular Formula: C5H8ClN5O Molecular Weight (g/mol): 189.60 MDL Number: MFCD11046306 InChI Key: MYRDTAUFFBYTHA-UHFFFAOYSA-N Synonym: 7h-purin-6-amine hydrochloride hydrate,adenine hydrochloride hydrate,adenine hydrochloride hemihydrate,1h-purin-6-amine monohydrochloride hydrate 2:1,ade hydrate hydrochloride,purine-6-ylamine, chloride, hydrate,c5h5n5.hcl.h2o,adenine hydrochloride,adeninehydrochloridehemihydrate,vitamin b4 hydrate hydrochloride PubChem CID: 24211900 IUPAC Name: 7H-purin-6-amine hydrate hydrochloride SMILES: O.Cl.NC1=C2NC=NC2=NC=N1
| PubChem CID | 24211900 |
|---|---|
| CAS | 6055-72-7 |
| Molecular Weight (g/mol) | 189.60 |
| MDL Number | MFCD11046306 |
| SMILES | O.Cl.NC1=C2NC=NC2=NC=N1 |
| Synonym | 7h-purin-6-amine hydrochloride hydrate,adenine hydrochloride hydrate,adenine hydrochloride hemihydrate,1h-purin-6-amine monohydrochloride hydrate 2:1,ade hydrate hydrochloride,purine-6-ylamine, chloride, hydrate,c5h5n5.hcl.h2o,adenine hydrochloride,adeninehydrochloridehemihydrate,vitamin b4 hydrate hydrochloride |
| IUPAC Name | 7H-purin-6-amine hydrate hydrochloride |
| InChI Key | MYRDTAUFFBYTHA-UHFFFAOYSA-N |
| Molecular Formula | C5H8ClN5O |
Thermo Scientific Chemicals 2',3'-O-Isopropylideneadenosine, 98%
CAS: 362-75-4 Molecular Formula: C13H17N5O4 Molecular Weight (g/mol): 307.31 MDL Number: MFCD00005756 InChI Key: LCCLUOXEZAHUNS-AUWRGFAENA-N Synonym: 2',3'-o-isopropylideneadenosine,3ar,4r,6r,6ar-6-6-amino-9h-purin-9-yl-2,2-dimethyltetrahydrofuro 3,4-d 1,3 dioxol-4-yl methanol,2',3'-isopropylideneadenosine,3ar,4r,6r,6ar-6-6-amino-9h-purin-9-yl-2,2-dimethyl-tetrahydro-2h-furo 3,4-d 1,3 dioxol-4-yl methanol,2 ,3-o-isopropylideneadenosine,1r,2r,4r,5r-4-6-aminopurin-9-yl-7,7-dimethyl-3,6,8-trioxabicyclo 3.3.0 oc t-2-yl methan-1-ol,3ar,4r,6r,6ar-4-6-aminopurin-9-yl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro 3,4-d 1,3 dioxol-6-yl methanol,3ar,4r,6r,6ar-6-6-aminopurin-9-yl-2,2-dimethyl-tetrahydrofuro 3,4-d 1,3 dioxol-4-yl methanol,pubchem14185 PubChem CID: 2723654 IUPAC Name: [(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol SMILES: CC1(C)O[C@@H]2[C@@H](CO)O[C@H]([C@@H]2O1)N1C=NC2=C(N)N=CN=C12
| PubChem CID | 2723654 |
|---|---|
| CAS | 362-75-4 |
| Molecular Weight (g/mol) | 307.31 |
| MDL Number | MFCD00005756 |
| SMILES | CC1(C)O[C@@H]2[C@@H](CO)O[C@H]([C@@H]2O1)N1C=NC2=C(N)N=CN=C12 |
| Synonym | 2',3'-o-isopropylideneadenosine,3ar,4r,6r,6ar-6-6-amino-9h-purin-9-yl-2,2-dimethyltetrahydrofuro 3,4-d 1,3 dioxol-4-yl methanol,2',3'-isopropylideneadenosine,3ar,4r,6r,6ar-6-6-amino-9h-purin-9-yl-2,2-dimethyl-tetrahydro-2h-furo 3,4-d 1,3 dioxol-4-yl methanol,2 ,3-o-isopropylideneadenosine,1r,2r,4r,5r-4-6-aminopurin-9-yl-7,7-dimethyl-3,6,8-trioxabicyclo 3.3.0 oc t-2-yl methan-1-ol,3ar,4r,6r,6ar-4-6-aminopurin-9-yl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro 3,4-d 1,3 dioxol-6-yl methanol,3ar,4r,6r,6ar-6-6-aminopurin-9-yl-2,2-dimethyl-tetrahydrofuro 3,4-d 1,3 dioxol-4-yl methanol,pubchem14185 |
| IUPAC Name | [(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol |
| InChI Key | LCCLUOXEZAHUNS-AUWRGFAENA-N |
| Molecular Formula | C13H17N5O4 |
Tetramisole hydrochloride, 99.6%, MP Biomedicals™
CAS: 83-67-0 Molecular Formula: C7H8N4O2 Molecular Weight (g/mol): 180.167 InChI Key: YAPQBXQYLJRXSA-UHFFFAOYSA-N Synonym: theobromine,3,7-dimethylxanthine,diurobromine,teobromin,theosalvose,theostene,santheose,thesodate,thesal,theobromin PubChem CID: 5429 ChEBI: CHEBI:28946 IUPAC Name: 3,7-dimethylpurine-2,6-dione SMILES: CN1C=NC2=C1C(=O)NC(=O)N2C
| PubChem CID | 5429 |
|---|---|
| CAS | 83-67-0 |
| Molecular Weight (g/mol) | 180.167 |
| ChEBI | CHEBI:28946 |
| SMILES | CN1C=NC2=C1C(=O)NC(=O)N2C |
| Synonym | theobromine,3,7-dimethylxanthine,diurobromine,teobromin,theosalvose,theostene,santheose,thesodate,thesal,theobromin |
| IUPAC Name | 3,7-dimethylpurine-2,6-dione |
| InChI Key | YAPQBXQYLJRXSA-UHFFFAOYSA-N |
| Molecular Formula | C7H8N4O2 |
| CAS | 519-37-9 |
|---|
3-Picoline, 99%
CAS: 108-99-6 Molecular Formula: C6H7N Molecular Weight (g/mol): 93.129 MDL Number: MFCD00006402 InChI Key: ITQTTZVARXURQS-UHFFFAOYSA-N Synonym: 3-picoline,beta-picoline,pyridine, 3-methyl,m-picoline,m-methylpyridine,b-picoline,beta-methylpyridine,.beta.-methylpyridine,.beta.-picoline,meta-methylpyridine PubChem CID: 7970 ChEBI: CHEBI:39922 IUPAC Name: 3-methylpyridine SMILES: CC1=CN=CC=C1
| PubChem CID | 7970 |
|---|---|
| CAS | 108-99-6 |
| Molecular Weight (g/mol) | 93.129 |
| ChEBI | CHEBI:39922 |
| MDL Number | MFCD00006402 |
| SMILES | CC1=CN=CC=C1 |
| Synonym | 3-picoline,beta-picoline,pyridine, 3-methyl,m-picoline,m-methylpyridine,b-picoline,beta-methylpyridine,.beta.-methylpyridine,.beta.-picoline,meta-methylpyridine |
| IUPAC Name | 3-methylpyridine |
| InChI Key | ITQTTZVARXURQS-UHFFFAOYSA-N |
| Molecular Formula | C6H7N |
1H-Pyrazole, 98%
CAS: 288-13-1 Molecular Formula: C3H4N2 Molecular Weight (g/mol): 68.079 MDL Number: MFCD00005234 InChI Key: WTKZEGDFNFYCGP-UHFFFAOYSA-N Synonym: pyrazole,1,2-diazole,1h-pyrazol,pyrazol,unii-3qd5kjz7zj,3qd5kjz7zj,diazole,hpz,1-h-pyrazole,pyrazol#1 PubChem CID: 1048 ChEBI: CHEBI:17241 IUPAC Name: 1H-pyrazole SMILES: C1=CNN=C1
| PubChem CID | 1048 |
|---|---|
| CAS | 288-13-1 |
| Molecular Weight (g/mol) | 68.079 |
| ChEBI | CHEBI:17241 |
| MDL Number | MFCD00005234 |
| SMILES | C1=CNN=C1 |
| Synonym | pyrazole,1,2-diazole,1h-pyrazol,pyrazol,unii-3qd5kjz7zj,3qd5kjz7zj,diazole,hpz,1-h-pyrazole,pyrazol#1 |
| IUPAC Name | 1H-pyrazole |
| InChI Key | WTKZEGDFNFYCGP-UHFFFAOYSA-N |
| Molecular Formula | C3H4N2 |
4,5-Dicyanoimidazole, 99%
CAS: 1122-28-7 Molecular Formula: C5H2N4 Molecular Weight (g/mol): 118.10 MDL Number: MFCD00005194 InChI Key: XGDRLCRGKUCBQL-UHFFFAOYSA-N PubChem CID: 70729 IUPAC Name: 1H-imidazole-4,5-dicarbonitrile SMILES: N#CC1=C(N=CN1)C#N
| PubChem CID | 70729 |
|---|---|
| CAS | 1122-28-7 |
| Molecular Weight (g/mol) | 118.10 |
| MDL Number | MFCD00005194 |
| SMILES | N#CC1=C(N=CN1)C#N |
| IUPAC Name | 1H-imidazole-4,5-dicarbonitrile |
| InChI Key | XGDRLCRGKUCBQL-UHFFFAOYSA-N |
| Molecular Formula | C5H2N4 |
3-Amino-4-methylpyridine, 97%
CAS: 3430-27-1 Molecular Formula: C6H8N2 Molecular Weight (g/mol): 108.14 MDL Number: MFCD00128871 InChI Key: IBKMZYWDWWIWEL-UHFFFAOYSA-N Synonym: 3-amino-4-methylpyridine,3-amino-4-picoline,3-pyridinamine, 4-methyl,4-methyl-3-pyridinamine,4-methyl-pyridin-3-ylamine,unii-9hn55rq07b,4-methyl-3-pyridylamine,4-methylpyridine-3-amine,3-amino-4-methyl pyridine,3-amino-4-methylpyridine 3-amino-4-picoline PubChem CID: 137935 IUPAC Name: 4-methylpyridin-3-amine SMILES: CC1=C(C=NC=C1)N
| PubChem CID | 137935 |
|---|---|
| CAS | 3430-27-1 |
| Molecular Weight (g/mol) | 108.14 |
| MDL Number | MFCD00128871 |
| SMILES | CC1=C(C=NC=C1)N |
| Synonym | 3-amino-4-methylpyridine,3-amino-4-picoline,3-pyridinamine, 4-methyl,4-methyl-3-pyridinamine,4-methyl-pyridin-3-ylamine,unii-9hn55rq07b,4-methyl-3-pyridylamine,4-methylpyridine-3-amine,3-amino-4-methyl pyridine,3-amino-4-methylpyridine 3-amino-4-picoline |
| IUPAC Name | 4-methylpyridin-3-amine |
| InChI Key | IBKMZYWDWWIWEL-UHFFFAOYSA-N |
| Molecular Formula | C6H8N2 |
Epichlorohydrin, 99%, AcroSeal™
CAS: 106-89-8 Molecular Formula: C3H5ClO Molecular Weight (g/mol): 92.52 MDL Number: MFCD00005132 InChI Key: BRLQWZUYTZBJKN-UHFFFAOYSA-N Synonym: epichlorohydrin,2-chloromethyl oxirane,epichlorhydrin,1-chloro-2,3-epoxypropane,glycidyl chloride,oxirane, chloromethyl,epichlorhydrine,1,2-epoxy-3-chloropropane,2,3-epoxypropyl chloride,chloropropylene oxide PubChem CID: 7835 ChEBI: CHEBI:37144 IUPAC Name: 2-(chloromethyl)oxirane SMILES: C1C(O1)CCl
| PubChem CID | 7835 |
|---|---|
| CAS | 106-89-8 |
| Molecular Weight (g/mol) | 92.52 |
| ChEBI | CHEBI:37144 |
| MDL Number | MFCD00005132 |
| SMILES | C1C(O1)CCl |
| Synonym | epichlorohydrin,2-chloromethyl oxirane,epichlorhydrin,1-chloro-2,3-epoxypropane,glycidyl chloride,oxirane, chloromethyl,epichlorhydrine,1,2-epoxy-3-chloropropane,2,3-epoxypropyl chloride,chloropropylene oxide |
| IUPAC Name | 2-(chloromethyl)oxirane |
| InChI Key | BRLQWZUYTZBJKN-UHFFFAOYSA-N |
| Molecular Formula | C3H5ClO |
6-Bromo-2-pyridinecarbonitrile, 98%
CAS: 122918-25-6 Molecular Formula: C6H3BrN2 Molecular Weight (g/mol): 183.01 MDL Number: MFCD00234142 InChI Key: HNEBPTAKURBYRM-UHFFFAOYSA-N Synonym: 6-bromopicolinonitrile,6-bromo-2-pyridinecarbonitrile,2-bromo-6-cyanopyridine,6-bromo-2-cyanopyridine,2-pyridinecarbonitrile, 6-bromo,2-cyano-6-bromopyridine,2-bromopyridine-6-carbonitrile,pubchem14367,2-bromo-6-cyanopyridin,2-bromo-6-cyano pyridine PubChem CID: 15100859 IUPAC Name: 6-bromopyridine-2-carbonitrile SMILES: C1=CC(=NC(=C1)Br)C#N
| PubChem CID | 15100859 |
|---|---|
| CAS | 122918-25-6 |
| Molecular Weight (g/mol) | 183.01 |
| MDL Number | MFCD00234142 |
| SMILES | C1=CC(=NC(=C1)Br)C#N |
| Synonym | 6-bromopicolinonitrile,6-bromo-2-pyridinecarbonitrile,2-bromo-6-cyanopyridine,6-bromo-2-cyanopyridine,2-pyridinecarbonitrile, 6-bromo,2-cyano-6-bromopyridine,2-bromopyridine-6-carbonitrile,pubchem14367,2-bromo-6-cyanopyridin,2-bromo-6-cyano pyridine |
| IUPAC Name | 6-bromopyridine-2-carbonitrile |
| InChI Key | HNEBPTAKURBYRM-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrN2 |
2,3,4,5-Tetrahydro-1H-1,4-benzodiazepine, 95%
CAS: 5946-39-4 Molecular Formula: C9H12N2 Molecular Weight (g/mol): 148.209 MDL Number: MFCD03789577 InChI Key: MLXBHOCKBUILHN-UHFFFAOYSA-N Synonym: 2,3,4,5-tetrahydro-1h-benzo e 1,4 diazepine,1h-1,4-benzodiazepine, 2,3,4,5-tetrahydro,2,3,4,5-tetrahydro-1h benzo e 1,4 diazepine,pubchem14772,acmc-1anok,d0v0nj,tetrahydrobenzo 1,4 diazepine,2,3,4,5-tetrahydro-1h-1,4-benzodiazepine,2,3,4,5-tetrahydro-1h-benzo 1,4 diazepine PubChem CID: 2771762 IUPAC Name: 2,3,4,5-tetrahydro-1H-1,4-benzodiazepine SMILES: C1CNC2=CC=CC=C2CN1
| PubChem CID | 2771762 |
|---|---|
| CAS | 5946-39-4 |
| Molecular Weight (g/mol) | 148.209 |
| MDL Number | MFCD03789577 |
| SMILES | C1CNC2=CC=CC=C2CN1 |
| Synonym | 2,3,4,5-tetrahydro-1h-benzo e 1,4 diazepine,1h-1,4-benzodiazepine, 2,3,4,5-tetrahydro,2,3,4,5-tetrahydro-1h benzo e 1,4 diazepine,pubchem14772,acmc-1anok,d0v0nj,tetrahydrobenzo 1,4 diazepine,2,3,4,5-tetrahydro-1h-1,4-benzodiazepine,2,3,4,5-tetrahydro-1h-benzo 1,4 diazepine |
| IUPAC Name | 2,3,4,5-tetrahydro-1H-1,4-benzodiazepine |
| InChI Key | MLXBHOCKBUILHN-UHFFFAOYSA-N |
| Molecular Formula | C9H12N2 |
(S)-1-Boc-2-isobutylpiperazine, 97%
CAS: 674792-06-4 Molecular Formula: C13H26N2O2 Molecular Weight (g/mol): 242.363 MDL Number: MFCD03787916 InChI Key: WXGGVOBNOVOVAM-NSHDSACASA-N Synonym: s-1-boc-2-isobutyl-piperazine,s-tert-butyl 2-isobutylpiperazine-1-carboxylate,s-1-boc-2-isobutylpiperazine,tert-butyl 2s-2-2-methylpropyl piperazine-1-carboxylate,s-1-n-boc-isobutylpiperazine,s-n-boc-2-isobutylpiperazine,tert-butyl 2s-2-isobutylpiperazine-1-carboxylate,s-1-n-boc-2-isobutylpiperazine,2s-1-n-boc-2-isobutylpiperazine,2s-1-tert-butoxycarbonyl-2-isobutylpiperazine PubChem CID: 17750437 IUPAC Name: tert-butyl (2S)-2-(2-methylpropyl)piperazine-1-carboxylate SMILES: CC(C)CC1CNCCN1C(=O)OC(C)(C)C
| PubChem CID | 17750437 |
|---|---|
| CAS | 674792-06-4 |
| Molecular Weight (g/mol) | 242.363 |
| MDL Number | MFCD03787916 |
| SMILES | CC(C)CC1CNCCN1C(=O)OC(C)(C)C |
| Synonym | s-1-boc-2-isobutyl-piperazine,s-tert-butyl 2-isobutylpiperazine-1-carboxylate,s-1-boc-2-isobutylpiperazine,tert-butyl 2s-2-2-methylpropyl piperazine-1-carboxylate,s-1-n-boc-isobutylpiperazine,s-n-boc-2-isobutylpiperazine,tert-butyl 2s-2-isobutylpiperazine-1-carboxylate,s-1-n-boc-2-isobutylpiperazine,2s-1-n-boc-2-isobutylpiperazine,2s-1-tert-butoxycarbonyl-2-isobutylpiperazine |
| IUPAC Name | tert-butyl (2S)-2-(2-methylpropyl)piperazine-1-carboxylate |
| InChI Key | WXGGVOBNOVOVAM-NSHDSACASA-N |
| Molecular Formula | C13H26N2O2 |
N-Methylmaleimide, 98+%
CAS: 930-88-1 Molecular Formula: C5H5NO2 Molecular Weight (g/mol): 111.1 MDL Number: MFCD00005508 InChI Key: SEEYREPSKCQBBF-UHFFFAOYSA-N Synonym: n-methylmaleimide,1-methyl-1h-pyrrole-2,5-dione,maleimide, n-methyl,n-methylmaleinimide,1h-pyrrole-2,5-dione, 1-methyl,n-methyl maleimide,unii-p0tfz8r21y,p0tfz8r21y,1-methyl-pyrrole-2,5-dione,1-methyl-2,5-dihydro-1h-pyrrole-2,5-dione PubChem CID: 70261 IUPAC Name: 1-methylpyrrole-2,5-dione SMILES: CN1C(=O)C=CC1=O
| PubChem CID | 70261 |
|---|---|
| CAS | 930-88-1 |
| Molecular Weight (g/mol) | 111.1 |
| MDL Number | MFCD00005508 |
| SMILES | CN1C(=O)C=CC1=O |
| Synonym | n-methylmaleimide,1-methyl-1h-pyrrole-2,5-dione,maleimide, n-methyl,n-methylmaleinimide,1h-pyrrole-2,5-dione, 1-methyl,n-methyl maleimide,unii-p0tfz8r21y,p0tfz8r21y,1-methyl-pyrrole-2,5-dione,1-methyl-2,5-dihydro-1h-pyrrole-2,5-dione |
| IUPAC Name | 1-methylpyrrole-2,5-dione |
| InChI Key | SEEYREPSKCQBBF-UHFFFAOYSA-N |
| Molecular Formula | C5H5NO2 |
Isoxazole, 99%
CAS: 288-14-2 Molecular Formula: C3H3NO Molecular Weight (g/mol): 69.063 MDL Number: MFCD00003149 InChI Key: CTAPFRYPJLPFDF-UHFFFAOYSA-N Synonym: isoxazole,1-oxa-2-azacyclopentadiene,isooxazole,unii-00srw0m6pw,00srw0m6pw,isoxazoles,pubchem8623,acmc-209h4x,ksc204o6n PubChem CID: 9254 ChEBI: CHEBI:35595 IUPAC Name: 1,2-oxazole SMILES: C1=CON=C1
| PubChem CID | 9254 |
|---|---|
| CAS | 288-14-2 |
| Molecular Weight (g/mol) | 69.063 |
| ChEBI | CHEBI:35595 |
| MDL Number | MFCD00003149 |
| SMILES | C1=CON=C1 |
| Synonym | isoxazole,1-oxa-2-azacyclopentadiene,isooxazole,unii-00srw0m6pw,00srw0m6pw,isoxazoles,pubchem8623,acmc-209h4x,ksc204o6n |
| IUPAC Name | 1,2-oxazole |
| InChI Key | CTAPFRYPJLPFDF-UHFFFAOYSA-N |
| Molecular Formula | C3H3NO |
Cyanuric chloride, 98%
CAS: 108-77-0 Molecular Formula: C3Cl3N3 Molecular Weight (g/mol): 184.40 MDL Number: MFCD00006046 InChI Key: MGNCLNQXLYJVJD-UHFFFAOYSA-N Synonym: cyanuric chloride,cyanuryl chloride,cyanuric acid chloride,s-triazine trichloride,trichlorocyanidine,cyanuric trichloride,tricyanogen chloride,sym-trichlorotriazine,cyanur chloride,trichloro-s-triazine PubChem CID: 7954 ChEBI: CHEBI:58964 SMILES: ClC1=NC(Cl)=NC(Cl)=N1
| PubChem CID | 7954 |
|---|---|
| CAS | 108-77-0 |
| Molecular Weight (g/mol) | 184.40 |
| ChEBI | CHEBI:58964 |
| MDL Number | MFCD00006046 |
| SMILES | ClC1=NC(Cl)=NC(Cl)=N1 |
| Synonym | cyanuric chloride,cyanuryl chloride,cyanuric acid chloride,s-triazine trichloride,trichlorocyanidine,cyanuric trichloride,tricyanogen chloride,sym-trichlorotriazine,cyanur chloride,trichloro-s-triazine |
| InChI Key | MGNCLNQXLYJVJD-UHFFFAOYSA-N |
| Molecular Formula | C3Cl3N3 |