Organoheterocyclic compounds
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3(2H)-Pyridazinone 96.0+%, TCI America™
CAS: 504-30-3 Molecular Formula: C4H4N2O Molecular Weight (g/mol): 96.089 MDL Number: MFCD00099605 InChI Key: AAILEWXSEQLMNI-UHFFFAOYSA-N Synonym: 3 2h-pyridazinone,pyridazin-3 2h-one,2h-pyridazin-3-one,3-hydroxypyridazine,3-pyridazinol,pyridazin-3-ol,pyridazinone,2,3-dihydropyridazin-3-one,3-pyridazinone,6-pyridazinone PubChem CID: 68153 IUPAC Name: 1H-pyridazin-6-one SMILES: C1=CC(=O)NN=C1
| PubChem CID | 68153 |
|---|---|
| CAS | 504-30-3 |
| Molecular Weight (g/mol) | 96.089 |
| MDL Number | MFCD00099605 |
| SMILES | C1=CC(=O)NN=C1 |
| Synonym | 3 2h-pyridazinone,pyridazin-3 2h-one,2h-pyridazin-3-one,3-hydroxypyridazine,3-pyridazinol,pyridazin-3-ol,pyridazinone,2,3-dihydropyridazin-3-one,3-pyridazinone,6-pyridazinone |
| IUPAC Name | 1H-pyridazin-6-one |
| InChI Key | AAILEWXSEQLMNI-UHFFFAOYSA-N |
| Molecular Formula | C4H4N2O |
1-(3-Chloroanilino)-4-phenylphthalazine 98.0+%, TCI America™
CAS: 78351-75-4 Molecular Formula: C20H14ClN3 Molecular Weight (g/mol): 331.803 MDL Number: MFCD00209838 InChI Key: CEHQLKSLMFIHBF-UHFFFAOYSA-N Synonym: MY-5445, 1-(3-Chlorophenyl)amino-4-phenylphthalazine PubChem CID: 1348 IUPAC Name: N-(3-chlorophenyl)-4-phenylphthalazin-1-amine SMILES: C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC(=CC=C4)Cl
| PubChem CID | 1348 |
|---|---|
| CAS | 78351-75-4 |
| Molecular Weight (g/mol) | 331.803 |
| MDL Number | MFCD00209838 |
| SMILES | C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC(=CC=C4)Cl |
| Synonym | MY-5445, 1-(3-Chlorophenyl)amino-4-phenylphthalazine |
| IUPAC Name | N-(3-chlorophenyl)-4-phenylphthalazin-1-amine |
| InChI Key | CEHQLKSLMFIHBF-UHFFFAOYSA-N |
| Molecular Formula | C20H14ClN3 |
Amezinium Methyl Sulfate 98.0+%, TCI America™
CAS: 30578-37-1 Molecular Formula: C12H15N3O5S Molecular Weight (g/mol): 313.33 MDL Number: MFCD00865972 InChI Key: ZEASXVYVFFXULL-UHFFFAOYSA-N Synonym: 4-Amino-6-methoxy-1-phenylpyridazinium Methyl Sulfate PubChem CID: 71926 IUPAC Name: 4-amino-6-methoxy-1-phenyl-1λ⁵-pyridazin-1-ylium methyl sulfate SMILES: COS([O-])(=O)=O.COC1=CC(N)=CN=[N+]1C1=CC=CC=C1
| PubChem CID | 71926 |
|---|---|
| CAS | 30578-37-1 |
| Molecular Weight (g/mol) | 313.33 |
| MDL Number | MFCD00865972 |
| SMILES | COS([O-])(=O)=O.COC1=CC(N)=CN=[N+]1C1=CC=CC=C1 |
| Synonym | 4-Amino-6-methoxy-1-phenylpyridazinium Methyl Sulfate |
| IUPAC Name | 4-amino-6-methoxy-1-phenyl-1λ⁵-pyridazin-1-ylium methyl sulfate |
| InChI Key | ZEASXVYVFFXULL-UHFFFAOYSA-N |
| Molecular Formula | C12H15N3O5S |
2-Coumaranone 98.0+%, TCI America™
CAS: 553-86-6 Molecular Formula: C8H6O2 Molecular Weight (g/mol): 134.134 MDL Number: MFCD00005856 InChI Key: ACZGCWSMSTYWDQ-UHFFFAOYSA-N Synonym: 2-coumaranone,benzofuran-2 3h-one,2 3h-benzofuranone,3h-benzofuran-2-one,benzofuran-2-one,benzofuranone,1-benzofuran-2 3h-one,isocoumaranone,2-coumarotioiie PubChem CID: 68382 IUPAC Name: 3H-1-benzofuran-2-one SMILES: C1C2=CC=CC=C2OC1=O
| PubChem CID | 68382 |
|---|---|
| CAS | 553-86-6 |
| Molecular Weight (g/mol) | 134.134 |
| MDL Number | MFCD00005856 |
| SMILES | C1C2=CC=CC=C2OC1=O |
| Synonym | 2-coumaranone,benzofuran-2 3h-one,2 3h-benzofuranone,3h-benzofuran-2-one,benzofuran-2-one,benzofuranone,1-benzofuran-2 3h-one,isocoumaranone,2-coumarotioiie |
| IUPAC Name | 3H-1-benzofuran-2-one |
| InChI Key | ACZGCWSMSTYWDQ-UHFFFAOYSA-N |
| Molecular Formula | C8H6O2 |
Isoluminol 98.0+%, TCI America™
CAS: 3682-14-2 Molecular Formula: C8H7N3O2 Molecular Weight (g/mol): 177.16 MDL Number: MFCD00010560 InChI Key: HUDPLKWXRLNSPC-UHFFFAOYSA-N Synonym: 4-aminophthalhydrazide,isoluminol,6-aminophthalazine-1,4-diol,chembl14882,1,4-phthalazinedione, 6-amino-2,3-dihydro,6-amino-2,3-dihydro-1,4-phthalazinedione,iso-luminol,1enu,4-aminophthaloylhydrazine,4-amino-phthalsaeure-hydrazid PubChem CID: 95014 IUPAC Name: 6-amino-1,2,3,4-tetrahydrophthalazine-1,4-dione SMILES: NC1=CC=C2C(=O)NNC(=O)C2=C1
| PubChem CID | 95014 |
|---|---|
| CAS | 3682-14-2 |
| Molecular Weight (g/mol) | 177.16 |
| MDL Number | MFCD00010560 |
| SMILES | NC1=CC=C2C(=O)NNC(=O)C2=C1 |
| Synonym | 4-aminophthalhydrazide,isoluminol,6-aminophthalazine-1,4-diol,chembl14882,1,4-phthalazinedione, 6-amino-2,3-dihydro,6-amino-2,3-dihydro-1,4-phthalazinedione,iso-luminol,1enu,4-aminophthaloylhydrazine,4-amino-phthalsaeure-hydrazid |
| IUPAC Name | 6-amino-1,2,3,4-tetrahydrophthalazine-1,4-dione |
| InChI Key | HUDPLKWXRLNSPC-UHFFFAOYSA-N |
| Molecular Formula | C8H7N3O2 |
3-Amino-6-chloropyridazine 98.0+%, TCI America™
CAS: 5469-69-2 Molecular Formula: C4H4ClN3 Molecular Weight (g/mol): 129.55 MDL Number: MFCD00051506 InChI Key: DTXVKPOKPFWSFF-UHFFFAOYSA-N Synonym: 3-amino-6-chloropyridazine,3-pyridazinamine, 6-chloro,6-chloro-3-pyridazinamine,6-amino-3-chloropyridazine,6-chloro-3-aminopyridazine,6-chloropyridazin-3-ylamine,6-chloro-pyridazin-3-ylamine,unii-ijs443slzg,3-chloro-6-pyridazinamine,6-chloro-3-pyridazinylamine PubChem CID: 21643 IUPAC Name: 6-chloropyridazin-3-amine SMILES: NC1=CC=C(Cl)N=N1
| PubChem CID | 21643 |
|---|---|
| CAS | 5469-69-2 |
| Molecular Weight (g/mol) | 129.55 |
| MDL Number | MFCD00051506 |
| SMILES | NC1=CC=C(Cl)N=N1 |
| Synonym | 3-amino-6-chloropyridazine,3-pyridazinamine, 6-chloro,6-chloro-3-pyridazinamine,6-amino-3-chloropyridazine,6-chloro-3-aminopyridazine,6-chloropyridazin-3-ylamine,6-chloro-pyridazin-3-ylamine,unii-ijs443slzg,3-chloro-6-pyridazinamine,6-chloro-3-pyridazinylamine |
| IUPAC Name | 6-chloropyridazin-3-amine |
| InChI Key | DTXVKPOKPFWSFF-UHFFFAOYSA-N |
| Molecular Formula | C4H4ClN3 |
4-Nitrophthalic Hydrazide 98.0+%, TCI America™
CAS: 3682-19-7 Molecular Formula: C8H5N3O4 Molecular Weight (g/mol): 207.15 MDL Number: MFCD00006891 InChI Key: XQFIOLKLHNOFCA-UHFFFAOYSA-N Synonym: 4-Nitrophthalhydrazide, 2,3-Dihydro-6-nitro-1,4-phthalazinedione PubChem CID: 3543259 IUPAC Name: 6-nitro-1,2,3,4-tetrahydrophthalazine-1,4-dione SMILES: [O-][N+](=O)C1=CC=C2C(=O)NNC(=O)C2=C1
| PubChem CID | 3543259 |
|---|---|
| CAS | 3682-19-7 |
| Molecular Weight (g/mol) | 207.15 |
| MDL Number | MFCD00006891 |
| SMILES | [O-][N+](=O)C1=CC=C2C(=O)NNC(=O)C2=C1 |
| Synonym | 4-Nitrophthalhydrazide, 2,3-Dihydro-6-nitro-1,4-phthalazinedione |
| IUPAC Name | 6-nitro-1,2,3,4-tetrahydrophthalazine-1,4-dione |
| InChI Key | XQFIOLKLHNOFCA-UHFFFAOYSA-N |
| Molecular Formula | C8H5N3O4 |
Ethylene Glycol Brassylate 95.0+%, TCI America™
CAS: 105-95-3 Molecular Formula: C15H26O4 Molecular Weight (g/mol): 270.37 MDL Number: MFCD00046977 InChI Key: XRHCAGNSDHCHFJ-UHFFFAOYSA-N Synonym: ethylene brassylate,astratone,musk t,emeressence 1150,ethylene undecane dicarboxylate,ethyl brassylate,tridecanedioic acid, cyclic ethylene ester,unii-9a87hc7rod,fema no. 3543,ccris 9097 PubChem CID: 61014 IUPAC Name: 1,4-dioxacycloheptadecane-5,17-dione SMILES: O=C1CCCCCCCCCCCC(=O)OCCO1
| PubChem CID | 61014 |
|---|---|
| CAS | 105-95-3 |
| Molecular Weight (g/mol) | 270.37 |
| MDL Number | MFCD00046977 |
| SMILES | O=C1CCCCCCCCCCCC(=O)OCCO1 |
| Synonym | ethylene brassylate,astratone,musk t,emeressence 1150,ethylene undecane dicarboxylate,ethyl brassylate,tridecanedioic acid, cyclic ethylene ester,unii-9a87hc7rod,fema no. 3543,ccris 9097 |
| IUPAC Name | 1,4-dioxacycloheptadecane-5,17-dione |
| InChI Key | XRHCAGNSDHCHFJ-UHFFFAOYSA-N |
| Molecular Formula | C15H26O4 |
Phthalazone 98.0+%, TCI America™
CAS: 119-39-1 Molecular Formula: C8H6N2O Molecular Weight (g/mol): 146.149 MDL Number: MFCD00006892 InChI Key: IJAPPYDYQCXOEF-UHFFFAOYSA-N Synonym: 1 2h-phthalazinone,phthalazin-1 2h-one,phthalazone,phthalazinone,phthalazin-1-one,1-phthalazinol,phthalazin-1-ol,1-hydroxyphthalazine,1 2h phthalazinone,1,2-dihydrophthalazin-1-one PubChem CID: 8394 ChEBI: CHEBI:34023 IUPAC Name: 2H-phthalazin-1-one SMILES: C1=CC=C2C(=C1)C=NNC2=O
| PubChem CID | 8394 |
|---|---|
| CAS | 119-39-1 |
| Molecular Weight (g/mol) | 146.149 |
| ChEBI | CHEBI:34023 |
| MDL Number | MFCD00006892 |
| SMILES | C1=CC=C2C(=C1)C=NNC2=O |
| Synonym | 1 2h-phthalazinone,phthalazin-1 2h-one,phthalazone,phthalazinone,phthalazin-1-one,1-phthalazinol,phthalazin-1-ol,1-hydroxyphthalazine,1 2h phthalazinone,1,2-dihydrophthalazin-1-one |
| IUPAC Name | 2H-phthalazin-1-one |
| InChI Key | IJAPPYDYQCXOEF-UHFFFAOYSA-N |
| Molecular Formula | C8H6N2O |
Nitrofurazone 98.0+%, TCI America™
CAS: 59-87-0 Molecular Formula: C6H6N4O4 Molecular Weight (g/mol): 198.14 MDL Number: MFCD00003225 InChI Key: IAIWVQXQOWNYOU-FPYGCLRLSA-N Synonym: nitrofurazone,nitrofural,furacilin,furacin,furacillin,aldomycin,furacine,furaldon,nifuzon,actin-n PubChem CID: 5447130 IUPAC Name: [(E)-[(5-nitrofuran-2-yl)methylidene]amino]urea SMILES: NC(=O)N\N=C\C1=CC=C(O1)[N+]([O-])=O
| PubChem CID | 5447130 |
|---|---|
| CAS | 59-87-0 |
| Molecular Weight (g/mol) | 198.14 |
| MDL Number | MFCD00003225 |
| SMILES | NC(=O)N\N=C\C1=CC=C(O1)[N+]([O-])=O |
| Synonym | nitrofurazone,nitrofural,furacilin,furacin,furacillin,aldomycin,furacine,furaldon,nifuzon,actin-n |
| IUPAC Name | [(E)-[(5-nitrofuran-2-yl)methylidene]amino]urea |
| InChI Key | IAIWVQXQOWNYOU-FPYGCLRLSA-N |
| Molecular Formula | C6H6N4O4 |
n-Octyl Nicotinate 98.0+%, TCI America™
CAS: 70136-02-6 Molecular Formula: C14H21NO2 Molecular Weight (g/mol): 235.327 MDL Number: MFCD00059783 InChI Key: TYBQVEHLLOHMLT-UHFFFAOYSA-N Synonym: Nicotinic Acid n-Octyl Ester PubChem CID: 96462 IUPAC Name: octyl pyridine-3-carboxylate SMILES: CCCCCCCCOC(=O)C1=CN=CC=C1
| PubChem CID | 96462 |
|---|---|
| CAS | 70136-02-6 |
| Molecular Weight (g/mol) | 235.327 |
| MDL Number | MFCD00059783 |
| SMILES | CCCCCCCCOC(=O)C1=CN=CC=C1 |
| Synonym | Nicotinic Acid n-Octyl Ester |
| IUPAC Name | octyl pyridine-3-carboxylate |
| InChI Key | TYBQVEHLLOHMLT-UHFFFAOYSA-N |
| Molecular Formula | C14H21NO2 |
5-Nitro-1,10-phenanthroline 98.0+%, TCI America™
CAS: 4199-88-6 Molecular Formula: C12H7N3O2 Molecular Weight (g/mol): 225.207 MDL Number: MFCD00004981 InChI Key: PDDBTWXLNJNICS-UHFFFAOYSA-N Synonym: 1,10-phenanthroline, 5-nitro,5-nitro-1, 10-diazaphenanthrene,nitroferroin,5-nitropyridino 3,2-h quinoline,acmc-209jmn,phhn01,5nitro-1, 10-phenanthroline,5-nitro-1,10-diazaphenanthrene,pddbtwxlnjnics-uhfffaoysa,5-nitro-1,10-phenanthroline, crystalline PubChem CID: 72790 IUPAC Name: 5-nitro-1,10-phenanthroline SMILES: C1=CC2=CC(=C3C=CC=NC3=C2N=C1)[N+](=O)[O-]
| PubChem CID | 72790 |
|---|---|
| CAS | 4199-88-6 |
| Molecular Weight (g/mol) | 225.207 |
| MDL Number | MFCD00004981 |
| SMILES | C1=CC2=CC(=C3C=CC=NC3=C2N=C1)[N+](=O)[O-] |
| Synonym | 1,10-phenanthroline, 5-nitro,5-nitro-1, 10-diazaphenanthrene,nitroferroin,5-nitropyridino 3,2-h quinoline,acmc-209jmn,phhn01,5nitro-1, 10-phenanthroline,5-nitro-1,10-diazaphenanthrene,pddbtwxlnjnics-uhfffaoysa,5-nitro-1,10-phenanthroline, crystalline |
| IUPAC Name | 5-nitro-1,10-phenanthroline |
| InChI Key | PDDBTWXLNJNICS-UHFFFAOYSA-N |
| Molecular Formula | C12H7N3O2 |
2-(2-Naphthyl)indole 98.0+%, TCI America™
CAS: 23746-81-8 Molecular Formula: C18H13N Molecular Weight (g/mol): 243.31 MDL Number: MFCD00124144 InChI Key: CACDYUNTCMPDMI-UHFFFAOYSA-N Synonym: 2-2-naphthyl indole,2-2-naphthyl-1h-indole,2-naphthalen-2-yl-1h-indole,acmc-1chvp,2-2-naphthyl-indol,maybridge1_005904,2-2-indolyl naphthalene,2-1h-indol-2-yl naphthalene,2-2-naphthalenyl-1h-indole PubChem CID: 265232 IUPAC Name: 2-(naphthalen-2-yl)-1H-indole SMILES: N1C2=CC=CC=C2C=C1C1=CC=C2C=CC=CC2=C1
| PubChem CID | 265232 |
|---|---|
| CAS | 23746-81-8 |
| Molecular Weight (g/mol) | 243.31 |
| MDL Number | MFCD00124144 |
| SMILES | N1C2=CC=CC=C2C=C1C1=CC=C2C=CC=CC2=C1 |
| Synonym | 2-2-naphthyl indole,2-2-naphthyl-1h-indole,2-naphthalen-2-yl-1h-indole,acmc-1chvp,2-2-naphthyl-indol,maybridge1_005904,2-2-indolyl naphthalene,2-1h-indol-2-yl naphthalene,2-2-naphthalenyl-1h-indole |
| IUPAC Name | 2-(naphthalen-2-yl)-1H-indole |
| InChI Key | CACDYUNTCMPDMI-UHFFFAOYSA-N |
| Molecular Formula | C18H13N |
Nortropinone Hydrochloride 98.0+%, TCI America™
CAS: 25602-68-0 Molecular Formula: C7H12ClNO Molecular Weight (g/mol): 161.629 MDL Number: MFCD03613582 InChI Key: MZQWQFWRSDNBPV-UHFFFAOYSA-N Synonym: nortropinone hydrochloride,8-azabicyclo 3.2.1 octan-3-one hydrochloride,nortropinone hcl,8-azabicyclo 3.2.1 octan-3-one hcl,8-azabicyclo 3.2.1 octan-3-one, hydrochloride,3-nortropanone hydrochloride,8-aza-3-oxobicyclo 3.2.1 octane hydrochloride,nortropinonehydrochloride,c7h11no.clh,8-azabicyclo 3,2,1 octan-3-one hydrochloride PubChem CID: 13091218 IUPAC Name: 8-azabicyclo[3.2.1]octan-3-one;hydrochloride SMILES: C1CC2CC(=O)CC1N2.Cl
| PubChem CID | 13091218 |
|---|---|
| CAS | 25602-68-0 |
| Molecular Weight (g/mol) | 161.629 |
| MDL Number | MFCD03613582 |
| SMILES | C1CC2CC(=O)CC1N2.Cl |
| Synonym | nortropinone hydrochloride,8-azabicyclo 3.2.1 octan-3-one hydrochloride,nortropinone hcl,8-azabicyclo 3.2.1 octan-3-one hcl,8-azabicyclo 3.2.1 octan-3-one, hydrochloride,3-nortropanone hydrochloride,8-aza-3-oxobicyclo 3.2.1 octane hydrochloride,nortropinonehydrochloride,c7h11no.clh,8-azabicyclo 3,2,1 octan-3-one hydrochloride |
| IUPAC Name | 8-azabicyclo[3.2.1]octan-3-one;hydrochloride |
| InChI Key | MZQWQFWRSDNBPV-UHFFFAOYSA-N |
| Molecular Formula | C7H12ClNO |
5-Nitro-2-furaldehyde 98.0+%, TCI America™
CAS: 698-63-5 Molecular Formula: C5H3NO4 Molecular Weight (g/mol): 141.082 MDL Number: MFCD00003230 InChI Key: SXINBFXPADXIEY-UHFFFAOYSA-N Synonym: 5-nitro-2-furaldehyde,5-nitrofurfural,nitrofurfural,2-furancarboxaldehyde, 5-nitro,5-nitrofurfuraldehyde,5-nitro-2-furfural,2-furaldehyde, 5-nitro,5-nitrofuraldehyde,5-nitro-2-furancarboxaldehyde,furfural, 5-nitro PubChem CID: 12774 ChEBI: CHEBI:34459 IUPAC Name: 5-nitrofuran-2-carbaldehyde SMILES: C1=C(OC(=C1)[N+](=O)[O-])C=O
| PubChem CID | 12774 |
|---|---|
| CAS | 698-63-5 |
| Molecular Weight (g/mol) | 141.082 |
| ChEBI | CHEBI:34459 |
| MDL Number | MFCD00003230 |
| SMILES | C1=C(OC(=C1)[N+](=O)[O-])C=O |
| Synonym | 5-nitro-2-furaldehyde,5-nitrofurfural,nitrofurfural,2-furancarboxaldehyde, 5-nitro,5-nitrofurfuraldehyde,5-nitro-2-furfural,2-furaldehyde, 5-nitro,5-nitrofuraldehyde,5-nitro-2-furancarboxaldehyde,furfural, 5-nitro |
| IUPAC Name | 5-nitrofuran-2-carbaldehyde |
| InChI Key | SXINBFXPADXIEY-UHFFFAOYSA-N |
| Molecular Formula | C5H3NO4 |