Organoheterocyclic compounds
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1,8-Cineole, 99%
CAS: 470-82-6 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.25 MDL Number: MFCD00167977 InChI Key: WEEGYLXZBRQIMU-UHFFFAOYSA-N Synonym: eucalyptol,cineole,1,8-cineole,1,8-cineol,cajeputol,1,8-epoxy-p-menthane,eucalyptole,zineol,eucapur,terpan PubChem CID: 2758 IUPAC Name: 2,2,4-trimethyl-3-oxabicyclo[2.2.2]octane SMILES: CC12CCC(CC1)C(C)(C)O2
| PubChem CID | 2758 |
|---|---|
| CAS | 470-82-6 |
| Molecular Weight (g/mol) | 154.25 |
| MDL Number | MFCD00167977 |
| SMILES | CC12CCC(CC1)C(C)(C)O2 |
| Synonym | eucalyptol,cineole,1,8-cineole,1,8-cineol,cajeputol,1,8-epoxy-p-menthane,eucalyptole,zineol,eucapur,terpan |
| IUPAC Name | 2,2,4-trimethyl-3-oxabicyclo[2.2.2]octane |
| InChI Key | WEEGYLXZBRQIMU-UHFFFAOYSA-N |
| Molecular Formula | C10H18O |
Thermo Scientific Chemicals Allopurinol, 98%
CAS: 315-30-0 Molecular Formula: C5H4N4O Molecular Weight (g/mol): 136.11 MDL Number: MFCD00599413 InChI Key: OFCNXPDARWKPPY-UHFFFAOYSA-N Synonym: allopurinol,1h-pyrazolo 3,4-d pyrimidin-4-ol,zyloprim,zyloric,lopurin,atisuril,bleminol,caplenal,uripurinol,embarin PubChem CID: 2094 ChEBI: CHEBI:40279 IUPAC Name: 1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one SMILES: O=C1N=CN=C2NNC=C12
| PubChem CID | 2094 |
|---|---|
| CAS | 315-30-0 |
| Molecular Weight (g/mol) | 136.11 |
| ChEBI | CHEBI:40279 |
| MDL Number | MFCD00599413 |
| SMILES | O=C1N=CN=C2NNC=C12 |
| Synonym | allopurinol,1h-pyrazolo 3,4-d pyrimidin-4-ol,zyloprim,zyloric,lopurin,atisuril,bleminol,caplenal,uripurinol,embarin |
| IUPAC Name | 1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one |
| InChI Key | OFCNXPDARWKPPY-UHFFFAOYSA-N |
| Molecular Formula | C5H4N4O |
1-(3-Aminopropyl)imidazole, 98%
CAS: 5036-48-6 Molecular Formula: C6H11N3 Molecular Weight (g/mol): 125.18 MDL Number: MFCD00009819 InChI Key: KDHWOCLBMVSZPG-UHFFFAOYSA-N Synonym: 1-3-aminopropyl imidazole,n-3-aminopropyl imidazole,1h-imidazole-1-propanamine,n-3-aminopropyl-imidazole,3-1h-imidazol-1-yl propan-1-amine,3-imidazol-1-ylpropylamine,3-1h-imidazol-1-yl-1-propanamine,1-3-aminopropyl-imidazole,3-imidazol-1-yl propylamine,3-imidazolylpropylamine PubChem CID: 78736 SMILES: NCCCN1C=CN=C1
| PubChem CID | 78736 |
|---|---|
| CAS | 5036-48-6 |
| Molecular Weight (g/mol) | 125.18 |
| MDL Number | MFCD00009819 |
| SMILES | NCCCN1C=CN=C1 |
| Synonym | 1-3-aminopropyl imidazole,n-3-aminopropyl imidazole,1h-imidazole-1-propanamine,n-3-aminopropyl-imidazole,3-1h-imidazol-1-yl propan-1-amine,3-imidazol-1-ylpropylamine,3-1h-imidazol-1-yl-1-propanamine,1-3-aminopropyl-imidazole,3-imidazol-1-yl propylamine,3-imidazolylpropylamine |
| InChI Key | KDHWOCLBMVSZPG-UHFFFAOYSA-N |
| Molecular Formula | C6H11N3 |
1-Benzylpiperidin-4-amine, 97%, Thermo Scientific™
CAS: 50541-93-0 Molecular Formula: C12H18N2 Molecular Weight (g/mol): 190.29 MDL Number: MFCD00006504 InChI Key: YUBDLZGUSSWQSS-UHFFFAOYSA-N Synonym: 4-amino-1-benzylpiperidine,1-benzyl-4-aminopiperidine,1-benzyl-piperidin-4-ylamine,n-benzyl-4-amino piperidine,1-benzyl-4-piperidylamine,4-piperidinamine, 1-phenylmethyl,4-amino-1-n-benzylpiperidine,4-amino-n-benzylpiperidine,1-phenylmethyl-4-piperidinamine,n-benzyl-4-aminopiperidine PubChem CID: 415852 IUPAC Name: 1-benzylpiperidin-4-amine SMILES: C1CN(CCC1N)CC2=CC=CC=C2
| PubChem CID | 415852 |
|---|---|
| CAS | 50541-93-0 |
| Molecular Weight (g/mol) | 190.29 |
| MDL Number | MFCD00006504 |
| SMILES | C1CN(CCC1N)CC2=CC=CC=C2 |
| Synonym | 4-amino-1-benzylpiperidine,1-benzyl-4-aminopiperidine,1-benzyl-piperidin-4-ylamine,n-benzyl-4-amino piperidine,1-benzyl-4-piperidylamine,4-piperidinamine, 1-phenylmethyl,4-amino-1-n-benzylpiperidine,4-amino-n-benzylpiperidine,1-phenylmethyl-4-piperidinamine,n-benzyl-4-aminopiperidine |
| IUPAC Name | 1-benzylpiperidin-4-amine |
| InChI Key | YUBDLZGUSSWQSS-UHFFFAOYSA-N |
| Molecular Formula | C12H18N2 |
Ethyl isonipecotate, 98+%
CAS: 1126-09-6 Molecular Formula: C8H15NO2 Molecular Weight (g/mol): 157.21 MDL Number: MFCD00006003 InChI Key: RUJPPJYDHHAEEK-UHFFFAOYSA-N Synonym: ethyl 4-piperidinecarboxylate,ethyl isonipecotate,piperidine-4-carboxylic acid ethyl ester,ethylpiperidine-4-carboxylate,4-piperidinecarboxylic acid, ethyl ester,isonipecotic acid ethyl ester,4-piperidinecarboxylic acid ethyl ester,4-carbethoxypiperidine,4-carboethoxypiperidine,4-ethoxycarbonyl piperidine PubChem CID: 70770 IUPAC Name: ethyl piperidine-4-carboxylate SMILES: CCOC(=O)C1CCNCC1
| PubChem CID | 70770 |
|---|---|
| CAS | 1126-09-6 |
| Molecular Weight (g/mol) | 157.21 |
| MDL Number | MFCD00006003 |
| SMILES | CCOC(=O)C1CCNCC1 |
| Synonym | ethyl 4-piperidinecarboxylate,ethyl isonipecotate,piperidine-4-carboxylic acid ethyl ester,ethylpiperidine-4-carboxylate,4-piperidinecarboxylic acid, ethyl ester,isonipecotic acid ethyl ester,4-piperidinecarboxylic acid ethyl ester,4-carbethoxypiperidine,4-carboethoxypiperidine,4-ethoxycarbonyl piperidine |
| IUPAC Name | ethyl piperidine-4-carboxylate |
| InChI Key | RUJPPJYDHHAEEK-UHFFFAOYSA-N |
| Molecular Formula | C8H15NO2 |
2-Hydroxypyrimidine hydrochloride, 98%
CAS: 38353-09-2 Molecular Formula: C4H4N2O·ClH Molecular Weight (g/mol): 132.55 MDL Number: MFCD00012781 InChI Key: IAJINJSFYTZPEJ-UHFFFAOYSA-N Synonym: 2-hydroxypyrimidine hydrochloride,pyrimidin-2-ol hydrochloride,2 1h-pyrimidinone, monohydrochloride,2-hydroxypyrimidine hcl,2-pyrimidinone hydrochloride,pyrimidin-2 1h-one hydrochloride,2-hydroxypyrimidinehydrochloride,pyrimidin-2-one monohydrochloride,1,2-dihydropyrimidin-2-one hydrochloride,pyrimidin-2-one hydrochloride PubChem CID: 122774 IUPAC Name: 1H-pyrimidin-2-one;hydrochloride SMILES: C1=CNC(=O)N=C1.Cl
| PubChem CID | 122774 |
|---|---|
| CAS | 38353-09-2 |
| Molecular Weight (g/mol) | 132.55 |
| MDL Number | MFCD00012781 |
| SMILES | C1=CNC(=O)N=C1.Cl |
| Synonym | 2-hydroxypyrimidine hydrochloride,pyrimidin-2-ol hydrochloride,2 1h-pyrimidinone, monohydrochloride,2-hydroxypyrimidine hcl,2-pyrimidinone hydrochloride,pyrimidin-2 1h-one hydrochloride,2-hydroxypyrimidinehydrochloride,pyrimidin-2-one monohydrochloride,1,2-dihydropyrimidin-2-one hydrochloride,pyrimidin-2-one hydrochloride |
| IUPAC Name | 1H-pyrimidin-2-one;hydrochloride |
| InChI Key | IAJINJSFYTZPEJ-UHFFFAOYSA-N |
| Molecular Formula | C4H4N2O·ClH |
6-Hydroxyindole, 97%
CAS: 2380-86-1 Molecular Formula: C8H7NO Molecular Weight (g/mol): 133.15 InChI Key: XAWPKHNOFIWWNZ-UHFFFAOYSA-N Synonym: 6-hydroxyindole,6-indolol,indolol,6-hydroxy indole,unii-3i03jz599t,6-hydroxy-1h-indole,6hydroxyindole,6-hydroxy-indole,indol-6-ol,1h-indole-6-ol PubChem CID: 524508 IUPAC Name: 1H-indol-6-ol SMILES: C1=CC(=CC2=C1C=CN2)O
| PubChem CID | 524508 |
|---|---|
| CAS | 2380-86-1 |
| Molecular Weight (g/mol) | 133.15 |
| SMILES | C1=CC(=CC2=C1C=CN2)O |
| Synonym | 6-hydroxyindole,6-indolol,indolol,6-hydroxy indole,unii-3i03jz599t,6-hydroxy-1h-indole,6hydroxyindole,6-hydroxy-indole,indol-6-ol,1h-indole-6-ol |
| IUPAC Name | 1H-indol-6-ol |
| InChI Key | XAWPKHNOFIWWNZ-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO |
Ethidium bromide, >98%, Molecular Biology Reagent, MP Biomedicals™
CAS: 1239-45-8 Molecular Formula: C21H20BrN3 Molecular Weight (g/mol): 394.32 MDL Number: MFCD00011724 InChI Key: ZMMJGEGLRURXTF-UHFFFAOYSA-N Synonym: ethidium bromide,homidium bromide,dromilac,3,8-diamino-5-ethyl-6-phenylphenanthridinium bromide,ethydium bromide,3,8-diamino-5-ethyl-6-phenylphenanthridin-5-ium bromide,etbr,2,7-diamino-10-ethyl-9-phenylphenanthridinium bromide,2,7-diamino-9-phenyl-10-ethylphenanthridinium bromide,unii-059nuo2z1l PubChem CID: 14710 ChEBI: CHEBI:4883 IUPAC Name: 3,8-diamino-5-ethyl-6-phenylphenanthridin-5-ium bromide SMILES: [Br-].CC[N+]1=C(C2=CC=CC=C2)C2=CC(N)=CC=C2C2=CC=C(N)C=C12
| PubChem CID | 14710 |
|---|---|
| CAS | 1239-45-8 |
| Molecular Weight (g/mol) | 394.32 |
| ChEBI | CHEBI:4883 |
| MDL Number | MFCD00011724 |
| SMILES | [Br-].CC[N+]1=C(C2=CC=CC=C2)C2=CC(N)=CC=C2C2=CC=C(N)C=C12 |
| Synonym | ethidium bromide,homidium bromide,dromilac,3,8-diamino-5-ethyl-6-phenylphenanthridinium bromide,ethydium bromide,3,8-diamino-5-ethyl-6-phenylphenanthridin-5-ium bromide,etbr,2,7-diamino-10-ethyl-9-phenylphenanthridinium bromide,2,7-diamino-9-phenyl-10-ethylphenanthridinium bromide,unii-059nuo2z1l |
| IUPAC Name | 3,8-diamino-5-ethyl-6-phenylphenanthridin-5-ium bromide |
| InChI Key | ZMMJGEGLRURXTF-UHFFFAOYSA-N |
| Molecular Formula | C21H20BrN3 |
Melamine, 99%
CAS: 108-78-1 Molecular Formula: C3H6N6 Molecular Weight (g/mol): 126.12 MDL Number: MFCD00006055 InChI Key: JDSHMPZPIAZGSV-UHFFFAOYSA-N Synonym: melamine,cyanurotriamide,cyanuramide,cyanurotriamine,isomelamine,theoharn,teoharn,triaminotriazine,cyanuric triamide,hicophor pr PubChem CID: 7955 ChEBI: CHEBI:27915 IUPAC Name: 1,3,5-triazine-2,4,6-triamine SMILES: NC1=NC(N)=NC(N)=N1
| PubChem CID | 7955 |
|---|---|
| CAS | 108-78-1 |
| Molecular Weight (g/mol) | 126.12 |
| ChEBI | CHEBI:27915 |
| MDL Number | MFCD00006055 |
| SMILES | NC1=NC(N)=NC(N)=N1 |
| Synonym | melamine,cyanurotriamide,cyanuramide,cyanurotriamine,isomelamine,theoharn,teoharn,triaminotriazine,cyanuric triamide,hicophor pr |
| IUPAC Name | 1,3,5-triazine-2,4,6-triamine |
| InChI Key | JDSHMPZPIAZGSV-UHFFFAOYSA-N |
| Molecular Formula | C3H6N6 |
Thermo Scientific Chemicals Chlorophenol Red
CAS: 4430-20-0 Molecular Formula: C19H12Cl2O5S Molecular Weight (g/mol): 423.26 MDL Number: MFCD00005877 InChI Key: WWAABJGNHFGXSJ-UHFFFAOYSA-N Synonym: chlorophenol red,chlorphenol red,chlorphenolsulfonphthalein,dichlorophenolsulfonephthalein,3,3-bis 3-chloro-4-hydroxyphenyl-3h-benzo c 1,2 oxathiole 1,1-dioxide,chlorophenol red indicator,3',3-dichlorophenolsulfonphthalein,phenol, 4,4'-1,1-dioxido-3h-2,1-benzoxathiol-3-ylidene bis 2-chloro,3',3'-dichlorophenolsulfonaphthalein,3',3-dichlorophenol-sulfonphthalein PubChem CID: 20486 IUPAC Name: 2-chloro-4-[3-(3-chloro-4-hydroxyphenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]phenol SMILES: OC1=CC=C(C=C1Cl)C1(OS(=O)(=O)C2=CC=CC=C12)C1=CC=C(O)C(Cl)=C1
| PubChem CID | 20486 |
|---|---|
| CAS | 4430-20-0 |
| Molecular Weight (g/mol) | 423.26 |
| MDL Number | MFCD00005877 |
| SMILES | OC1=CC=C(C=C1Cl)C1(OS(=O)(=O)C2=CC=CC=C12)C1=CC=C(O)C(Cl)=C1 |
| Synonym | chlorophenol red,chlorphenol red,chlorphenolsulfonphthalein,dichlorophenolsulfonephthalein,3,3-bis 3-chloro-4-hydroxyphenyl-3h-benzo c 1,2 oxathiole 1,1-dioxide,chlorophenol red indicator,3',3-dichlorophenolsulfonphthalein,phenol, 4,4'-1,1-dioxido-3h-2,1-benzoxathiol-3-ylidene bis 2-chloro,3',3'-dichlorophenolsulfonaphthalein,3',3-dichlorophenol-sulfonphthalein |
| IUPAC Name | 2-chloro-4-[3-(3-chloro-4-hydroxyphenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]phenol |
| InChI Key | WWAABJGNHFGXSJ-UHFFFAOYSA-N |
| Molecular Formula | C19H12Cl2O5S |
1,1'-Diethyl-2,2'-cyanine iodide, 99%
CAS: 977-96-8 Molecular Formula: C23H23IN2 Molecular Weight (g/mol): 454.34 MDL Number: MFCD00011971 InChI Key: GMYRVMSXMHEDTL-UHFFFAOYSA-M Synonym: decynium 22 PubChem CID: 71299759 ChEBI: CHEBI:37993 IUPAC Name: (2Z)-1-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]quinoline;iodide SMILES: CCN1C(=CC2=[N+](C3=CC=CC=C3C=C2)CC)C=CC4=CC=CC=C41.[I-]
| PubChem CID | 71299759 |
|---|---|
| CAS | 977-96-8 |
| Molecular Weight (g/mol) | 454.34 |
| ChEBI | CHEBI:37993 |
| MDL Number | MFCD00011971 |
| SMILES | CCN1C(=CC2=[N+](C3=CC=CC=C3C=C2)CC)C=CC4=CC=CC=C41.[I-] |
| Synonym | decynium 22 |
| IUPAC Name | (2Z)-1-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]quinoline;iodide |
| InChI Key | GMYRVMSXMHEDTL-UHFFFAOYSA-M |
| Molecular Formula | C23H23IN2 |
1,1'-Diethyl-4,4'-carbocyanine iodide, 96%
CAS: 4727-50-8 Molecular Formula: C25H25IN2 Molecular Weight (g/mol): 480.393 MDL Number: MFCD00011970 InChI Key: CEJANLKHJMMNQB-UHFFFAOYSA-M Synonym: cryptocyanin,cryptocyanine,kryptocyanin,kryptocyanine,cryptocyanine iodide,kryptocyanine iodide,1,1'-diethylquino-4-carbocyanine iodide,cryptocyanine o.a. 2,1,4'-carbocyanine iodide,1,4'-quinocarbocyanine iodide PubChem CID: 16219292 ChEBI: CHEBI:51502 IUPAC Name: (4E)-1-ethyl-4-[(Z)-3-(1-ethylquinolin-1-ium-4-yl)prop-2-enylidene]quinoline;iodide SMILES: CCN1C=CC(=CC=CC2=CC=[N+](C3=CC=CC=C23)CC)C4=CC=CC=C41.[I-]
| PubChem CID | 16219292 |
|---|---|
| CAS | 4727-50-8 |
| Molecular Weight (g/mol) | 480.393 |
| ChEBI | CHEBI:51502 |
| MDL Number | MFCD00011970 |
| SMILES | CCN1C=CC(=CC=CC2=CC=[N+](C3=CC=CC=C23)CC)C4=CC=CC=C41.[I-] |
| Synonym | cryptocyanin,cryptocyanine,kryptocyanin,kryptocyanine,cryptocyanine iodide,kryptocyanine iodide,1,1'-diethylquino-4-carbocyanine iodide,cryptocyanine o.a. 2,1,4'-carbocyanine iodide,1,4'-quinocarbocyanine iodide |
| IUPAC Name | (4E)-1-ethyl-4-[(Z)-3-(1-ethylquinolin-1-ium-4-yl)prop-2-enylidene]quinoline;iodide |
| InChI Key | CEJANLKHJMMNQB-UHFFFAOYSA-M |
| Molecular Formula | C25H25IN2 |
1,3-Dioxane, 98%
CAS: 505-22-6 Molecular Formula: C4H8O2 Molecular Weight (g/mol): 88.106 MDL Number: MFCD00006566 InChI Key: VDFVNEFVBPFDSB-UHFFFAOYSA-N Synonym: m-dioxane,1,3-dioxacyclohexane,meta-dioxane,1,3-propanediol formal,m-dioxin, dihydro,trimethylene glycol methylene ether,dihydro-m-dioxin,unii-b2c8m17i09,ccris 5911,2,4-dioxane PubChem CID: 10450 ChEBI: CHEBI:46924 IUPAC Name: 1,3-dioxane SMILES: C1COCOC1
| PubChem CID | 10450 |
|---|---|
| CAS | 505-22-6 |
| Molecular Weight (g/mol) | 88.106 |
| ChEBI | CHEBI:46924 |
| MDL Number | MFCD00006566 |
| SMILES | C1COCOC1 |
| Synonym | m-dioxane,1,3-dioxacyclohexane,meta-dioxane,1,3-propanediol formal,m-dioxin, dihydro,trimethylene glycol methylene ether,dihydro-m-dioxin,unii-b2c8m17i09,ccris 5911,2,4-dioxane |
| IUPAC Name | 1,3-dioxane |
| InChI Key | VDFVNEFVBPFDSB-UHFFFAOYSA-N |
| Molecular Formula | C4H8O2 |
1-(2,4-Difluorophenyl)piperazine, 99%, Thermo Scientific™
CAS: 115761-79-0 Molecular Formula: C10H12F2N2 Molecular Weight (g/mol): 198.217 MDL Number: MFCD00082588 InChI Key: CMCSPBOWEYUGHB-UHFFFAOYSA-N PubChem CID: 2734637 IUPAC Name: 1-(2,4-difluorophenyl)piperazine SMILES: C1CN(CCN1)C2=C(C=C(C=C2)F)F
| PubChem CID | 2734637 |
|---|---|
| CAS | 115761-79-0 |
| Molecular Weight (g/mol) | 198.217 |
| MDL Number | MFCD00082588 |
| SMILES | C1CN(CCN1)C2=C(C=C(C=C2)F)F |
| IUPAC Name | 1-(2,4-difluorophenyl)piperazine |
| InChI Key | CMCSPBOWEYUGHB-UHFFFAOYSA-N |
| Molecular Formula | C10H12F2N2 |
1-Boc-3-piperidone, 97%
CAS: 98977-36-7 Molecular Formula: C10H17NO3 Molecular Weight (g/mol): 199.25 MDL Number: MFCD01631193 InChI Key: RIFXIGDBUBXKEI-UHFFFAOYSA-N Synonym: 1-boc-3-piperidone,1-boc-3-piperidinone,n-boc-3-piperidone,1-n-boc-3-piperidone,n-boc-3-piperidinone,boc-3-piperidone,1-tert-butoxycarbonyl-3-piperidone,3-oxo-piperidine-1-carboxylic acid tert-butyl ester,3-oxopiperidine, n-boc protected,tert-butyl 3-oxopiperidinecarboxylate PubChem CID: 2756825 IUPAC Name: tert-butyl 3-oxopiperidine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCCC(=O)C1
| PubChem CID | 2756825 |
|---|---|
| CAS | 98977-36-7 |
| Molecular Weight (g/mol) | 199.25 |
| MDL Number | MFCD01631193 |
| SMILES | CC(C)(C)OC(=O)N1CCCC(=O)C1 |
| Synonym | 1-boc-3-piperidone,1-boc-3-piperidinone,n-boc-3-piperidone,1-n-boc-3-piperidone,n-boc-3-piperidinone,boc-3-piperidone,1-tert-butoxycarbonyl-3-piperidone,3-oxo-piperidine-1-carboxylic acid tert-butyl ester,3-oxopiperidine, n-boc protected,tert-butyl 3-oxopiperidinecarboxylate |
| IUPAC Name | tert-butyl 3-oxopiperidine-1-carboxylate |
| InChI Key | RIFXIGDBUBXKEI-UHFFFAOYSA-N |
| Molecular Formula | C10H17NO3 |