Organoheterocyclic compounds
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1,4-Bis(2-hydroxyethyl)piperazine, 98%
CAS: 122-96-3 Molecular Formula: C8H18N2O2 Molecular Weight (g/mol): 174.244 MDL Number: MFCD00006157 InChI Key: VARKIGWTYBUWNT-UHFFFAOYSA-N Synonym: 1,4-piperazinediethanol,2,2'-piperazine-1,4-diyl diethanol,1,4-bis 2-hydroxyethyl piperazine,n,n'-bis 2-hydroxyethyl piperazine,1,4-di 2-hydroxyethyl piperazine,n,n'-dihydroxyethylpiperazine,n,n'-di 2-hydroxyethyl piperazine,unii-eq349pkx8y,piperazine, n,n'-bis 2-hydroxyethyl,1,4-bis beta-hydroxyethyl piperazine PubChem CID: 67151 IUPAC Name: 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol SMILES: C1CN(CCN1CCO)CCO
| PubChem CID | 67151 |
|---|---|
| CAS | 122-96-3 |
| Molecular Weight (g/mol) | 174.244 |
| MDL Number | MFCD00006157 |
| SMILES | C1CN(CCN1CCO)CCO |
| Synonym | 1,4-piperazinediethanol,2,2'-piperazine-1,4-diyl diethanol,1,4-bis 2-hydroxyethyl piperazine,n,n'-bis 2-hydroxyethyl piperazine,1,4-di 2-hydroxyethyl piperazine,n,n'-dihydroxyethylpiperazine,n,n'-di 2-hydroxyethyl piperazine,unii-eq349pkx8y,piperazine, n,n'-bis 2-hydroxyethyl,1,4-bis beta-hydroxyethyl piperazine |
| IUPAC Name | 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol |
| InChI Key | VARKIGWTYBUWNT-UHFFFAOYSA-N |
| Molecular Formula | C8H18N2O2 |
3-Amino-5-fluoropyridine, 98%, Thermo Scientific Chemicals
CAS: 210169-05-4 Molecular Formula: C5H5FN2 Molecular Weight (g/mol): 112.107 MDL Number: MFCD00234073 InChI Key: ZRORIJXOWXYPMO-UHFFFAOYSA-N Synonym: 3-amino-5-fluoropyridine,5-amino-3-fluoropyridine,3-pyridinamine, 5-fluoro,5-fluoro-3-pyridylamine,5-fluoro-3-pyridinamine,3-fluoro-5-aminopyridine,5-fluoropyridin-3-ylamine,3-amine-5-fluoro-pyridin,3-amino-5-fluoro-pyridin,3-amine-5-fluoro-pyridine PubChem CID: 574450 IUPAC Name: 5-fluoropyridin-3-amine SMILES: C1=C(C=NC=C1F)N
| PubChem CID | 574450 |
|---|---|
| CAS | 210169-05-4 |
| Molecular Weight (g/mol) | 112.107 |
| MDL Number | MFCD00234073 |
| SMILES | C1=C(C=NC=C1F)N |
| Synonym | 3-amino-5-fluoropyridine,5-amino-3-fluoropyridine,3-pyridinamine, 5-fluoro,5-fluoro-3-pyridylamine,5-fluoro-3-pyridinamine,3-fluoro-5-aminopyridine,5-fluoropyridin-3-ylamine,3-amine-5-fluoro-pyridin,3-amino-5-fluoro-pyridin,3-amine-5-fluoro-pyridine |
| IUPAC Name | 5-fluoropyridin-3-amine |
| InChI Key | ZRORIJXOWXYPMO-UHFFFAOYSA-N |
| Molecular Formula | C5H5FN2 |
| Molecular Weight (g/mol) | 564.54 g/mol |
|---|
Ethyl 2-methylpyridine-4-carboxylate hydrochloride, 95%
CAS: 65550-32-5 Molecular Formula: C9H12ClNO2 Molecular Weight (g/mol): 201.65 MDL Number: MFCD09991690 InChI Key: DPRMHHCAVHGENN-UHFFFAOYSA-N Synonym: ethyl 2-methylisonicotinate hydrochloride,ethyl 2-methylpyridine-4-carboxylate hydrochloride,ethyl 2-methylisonicotinate hcl,2-methylisonicotinic acid ethyl ester hydrochloride,acmc-20al0t,2-methyl-isonicotinic acid ethyl ester hydrochloride,2-methyl-4-pyridinecarboxylic acid ethyl ester hydrochloride,ethyl 2-methylpyridine-4-carboxylate-hydrogen chloride 1/1,4-pyridinecarboxylic acid, 2-methyl-, ethyl ester, hydrochloride PubChem CID: 53229930 SMILES: Cl.CCOC(=O)C1=CC(C)=NC=C1
| PubChem CID | 53229930 |
|---|---|
| CAS | 65550-32-5 |
| Molecular Weight (g/mol) | 201.65 |
| MDL Number | MFCD09991690 |
| SMILES | Cl.CCOC(=O)C1=CC(C)=NC=C1 |
| Synonym | ethyl 2-methylisonicotinate hydrochloride,ethyl 2-methylpyridine-4-carboxylate hydrochloride,ethyl 2-methylisonicotinate hcl,2-methylisonicotinic acid ethyl ester hydrochloride,acmc-20al0t,2-methyl-isonicotinic acid ethyl ester hydrochloride,2-methyl-4-pyridinecarboxylic acid ethyl ester hydrochloride,ethyl 2-methylpyridine-4-carboxylate-hydrogen chloride 1/1,4-pyridinecarboxylic acid, 2-methyl-, ethyl ester, hydrochloride |
| InChI Key | DPRMHHCAVHGENN-UHFFFAOYSA-N |
| Molecular Formula | C9H12ClNO2 |
1,2-Butylene Oxide, MP Biomedicals
CAS: 106-88-7 Molecular Formula: C4H8O Molecular Weight (g/mol): 72.107 InChI Key: RBACIKXCRWGCBB-UHFFFAOYSA-N Synonym: 1,2-epoxybutane,1,2-butylene oxide,oxirane, ethyl,ethyloxirane,1,2-butene oxide,ethylethylene oxide,1-butene oxide,oxirane, 2-ethyl,butane, epoxy,1-butylene oxide PubChem CID: 7834 ChEBI: CHEBI:82326 IUPAC Name: 2-ethyloxirane SMILES: CCC1CO1
| PubChem CID | 7834 |
|---|---|
| CAS | 106-88-7 |
| Molecular Weight (g/mol) | 72.107 |
| ChEBI | CHEBI:82326 |
| SMILES | CCC1CO1 |
| Synonym | 1,2-epoxybutane,1,2-butylene oxide,oxirane, ethyl,ethyloxirane,1,2-butene oxide,ethylethylene oxide,1-butene oxide,oxirane, 2-ethyl,butane, epoxy,1-butylene oxide |
| IUPAC Name | 2-ethyloxirane |
| InChI Key | RBACIKXCRWGCBB-UHFFFAOYSA-N |
| Molecular Formula | C4H8O |
Thiamine Hydrochloride (Crystalline), MP Biomedicals
CAS: 67-03-8 Molecular Formula: C12H18Cl2N4OS Molecular Weight (g/mol): 337.263 InChI Key: DPJRMOMPQZCRJU-UHFFFAOYSA-M Synonym: thiamine hydrochloride,vitamin b1 hydrochloride,thiamine hcl,aneurine hydrochloride,berin,thiamine chloride hydrochloride,trophite,thiamin chloride,thiamine dichloride,thiaminium chloride PubChem CID: 6202 ChEBI: CHEBI:49105 IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-]
| PubChem CID | 6202 |
|---|---|
| CAS | 67-03-8 |
| Molecular Weight (g/mol) | 337.263 |
| ChEBI | CHEBI:49105 |
| SMILES | CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-] |
| Synonym | thiamine hydrochloride,vitamin b1 hydrochloride,thiamine hcl,aneurine hydrochloride,berin,thiamine chloride hydrochloride,trophite,thiamin chloride,thiamine dichloride,thiaminium chloride |
| IUPAC Name | 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride |
| InChI Key | DPJRMOMPQZCRJU-UHFFFAOYSA-M |
| Molecular Formula | C12H18Cl2N4OS |
Dihydroergocristine methanesulfonate, Thermo Scientific Chemicals
CAS: 24730-10-7 Molecular Formula: C36H45N5O8S Molecular Weight (g/mol): 707.843 MDL Number: MFCD00153792 InChI Key: SPXACGZWWVIDGR-SPZWACKZSA-N Synonym: dihydroergocristine mesylate,dihydroergocristinmesilat,unii-ds7cl18uam,dihydroergocristine mesilate,9,10-dihydroergocristine methanesulfonate,ds7cl18uam,dihydroergocristine methanesulfonate,dihydroergocristine methanesulfonate salt,5'alpha-benzyl-9,10alpha-dihydro-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione monomethanesulphonate,diertine tn PubChem CID: 444034 ChEBI: CHEBI:31490 SMILES: CC(C)C1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CC6C(CC7=CNC8=CC=CC6=C78)N(C5)C.CS(=O)(=O)O
| PubChem CID | 444034 |
|---|---|
| CAS | 24730-10-7 |
| Molecular Weight (g/mol) | 707.843 |
| ChEBI | CHEBI:31490 |
| MDL Number | MFCD00153792 |
| SMILES | CC(C)C1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CC6C(CC7=CNC8=CC=CC6=C78)N(C5)C.CS(=O)(=O)O |
| Synonym | dihydroergocristine mesylate,dihydroergocristinmesilat,unii-ds7cl18uam,dihydroergocristine mesilate,9,10-dihydroergocristine methanesulfonate,ds7cl18uam,dihydroergocristine methanesulfonate,dihydroergocristine methanesulfonate salt,5'alpha-benzyl-9,10alpha-dihydro-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione monomethanesulphonate,diertine tn |
| InChI Key | SPXACGZWWVIDGR-SPZWACKZSA-N |
| Molecular Formula | C36H45N5O8S |
2-Chloro-4-iodo-3-pyridinemethanol, 97%, Thermo Scientific Chemicals
CAS: 884494-44-4 Molecular Formula: C6H5ClINO Molecular Weight (g/mol): 269.466 MDL Number: MFCD03095296 InChI Key: BZQRQPAKTCMYIA-UHFFFAOYSA-N Synonym: 2-chloro-4-iodopyridin-3-yl methanol,2-chloro-4-iodo-3-pyridinemethanol,2-chloro-3-hydroxymethyl-4-iodopyridine,2-chloro-4-iodo-pyridin-3-yl-methanol,acmc-20anzo,pubchem17089,3-pyridinemethanol,2-chloro-4-iodo,2-chloro-4-iodo-3-pyridyl methan-1-ol PubChem CID: 40418628 IUPAC Name: (2-chloro-4-iodopyridin-3-yl)methanol SMILES: C1=CN=C(C(=C1I)CO)Cl
| PubChem CID | 40418628 |
|---|---|
| CAS | 884494-44-4 |
| Molecular Weight (g/mol) | 269.466 |
| MDL Number | MFCD03095296 |
| SMILES | C1=CN=C(C(=C1I)CO)Cl |
| Synonym | 2-chloro-4-iodopyridin-3-yl methanol,2-chloro-4-iodo-3-pyridinemethanol,2-chloro-3-hydroxymethyl-4-iodopyridine,2-chloro-4-iodo-pyridin-3-yl-methanol,acmc-20anzo,pubchem17089,3-pyridinemethanol,2-chloro-4-iodo,2-chloro-4-iodo-3-pyridyl methan-1-ol |
| IUPAC Name | (2-chloro-4-iodopyridin-3-yl)methanol |
| InChI Key | BZQRQPAKTCMYIA-UHFFFAOYSA-N |
| Molecular Formula | C6H5ClINO |
2,3,5,6-Tetrachloropyridine, 98%
CAS: 2402-79-1 Molecular Formula: C5HCl4N Molecular Weight (g/mol): 216.87 MDL Number: MFCD00092428 InChI Key: FATBKZJZAHWCSL-UHFFFAOYSA-N Synonym: pyridine, 2,3,5,6-tetrachloro,unii-wjr8hay65e,wjr8hay65e,2,3,5,6-tetrachlorpyridine,tetrachloropyridine, 2,3,5,6,dsstox_cid_7467,acmc-209g7z,2,5,6-tetrachloropyridine,dsstox_rid_78464,2,3,5,6tetrachloropyridine PubChem CID: 16990 IUPAC Name: 2,3,5,6-tetrachloropyridine SMILES: ClC1=CC(Cl)=C(Cl)N=C1Cl
| PubChem CID | 16990 |
|---|---|
| CAS | 2402-79-1 |
| Molecular Weight (g/mol) | 216.87 |
| MDL Number | MFCD00092428 |
| SMILES | ClC1=CC(Cl)=C(Cl)N=C1Cl |
| Synonym | pyridine, 2,3,5,6-tetrachloro,unii-wjr8hay65e,wjr8hay65e,2,3,5,6-tetrachlorpyridine,tetrachloropyridine, 2,3,5,6,dsstox_cid_7467,acmc-209g7z,2,5,6-tetrachloropyridine,dsstox_rid_78464,2,3,5,6tetrachloropyridine |
| IUPAC Name | 2,3,5,6-tetrachloropyridine |
| InChI Key | FATBKZJZAHWCSL-UHFFFAOYSA-N |
| Molecular Formula | C5HCl4N |
Bis(2-oxo-3-oxazolidinyl)phosphinic chloride, 97%
CAS: 68641-49-6 Molecular Formula: C6H8ClN2O5P Molecular Weight (g/mol): 254.563 MDL Number: MFCD00010077 InChI Key: KLDLRDSRCMJKGM-UHFFFAOYSA-N Synonym: bis 2-oxo-3-oxazolidinyl phosphinic chloride,bop-cl,bis 2-oxooxazolidin-3-yl phosphinic chloride,ccris 2607,phosphinic chloride, bis 2-oxo-3-oxazolidinyl,bis 2-oxo-3-oxazolidinyl phosphonic chloride,bis 2-oxo-1,3-oxazolidin-3-yl phosphinoyl chloride,bis-2-oxo-3-oxazolidinyl phosphinic chloride,n,n-bis 2-oxo-3-oxazolidinyl phosphinic chloride,bis 2-oxo-3-oxazolidinyl phosphinic chloride bop-cl PubChem CID: 152842 IUPAC Name: 3-[chloro-(2-oxo-1,3-oxazolidin-3-yl)phosphoryl]-1,3-oxazolidin-2-one SMILES: C1COC(=O)N1P(=O)(N2CCOC2=O)Cl
| PubChem CID | 152842 |
|---|---|
| CAS | 68641-49-6 |
| Molecular Weight (g/mol) | 254.563 |
| MDL Number | MFCD00010077 |
| SMILES | C1COC(=O)N1P(=O)(N2CCOC2=O)Cl |
| Synonym | bis 2-oxo-3-oxazolidinyl phosphinic chloride,bop-cl,bis 2-oxooxazolidin-3-yl phosphinic chloride,ccris 2607,phosphinic chloride, bis 2-oxo-3-oxazolidinyl,bis 2-oxo-3-oxazolidinyl phosphonic chloride,bis 2-oxo-1,3-oxazolidin-3-yl phosphinoyl chloride,bis-2-oxo-3-oxazolidinyl phosphinic chloride,n,n-bis 2-oxo-3-oxazolidinyl phosphinic chloride,bis 2-oxo-3-oxazolidinyl phosphinic chloride bop-cl |
| IUPAC Name | 3-[chloro-(2-oxo-1,3-oxazolidin-3-yl)phosphoryl]-1,3-oxazolidin-2-one |
| InChI Key | KLDLRDSRCMJKGM-UHFFFAOYSA-N |
| Molecular Formula | C6H8ClN2O5P |
(5-Phenyl-1,3-oxazol-4-yl)methanol, ≥95%, Thermo Scientific™
CAS: 352018-88-3 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.187 MDL Number: MFCD03086105 InChI Key: LVHWTAMRDRDXJP-UHFFFAOYSA-N Synonym: 5-phenyloxazol-4-yl methanol,5-phenyl-1,3-oxazol-4-yl methanol,5-phenyl-1,3-oxazole-4-methanol,4-oxazolemethanol,5-phenyl,5-phenyl-4-oxazolyl methanol,5-phenyl-oxazol-4-yl-methanol,5-phenyl-1,3-oxazol-4-yl methan-1-ol PubChem CID: 2776302 IUPAC Name: (5-phenyl-1,3-oxazol-4-yl)methanol SMILES: C1=CC=C(C=C1)C2=C(N=CO2)CO
| PubChem CID | 2776302 |
|---|---|
| CAS | 352018-88-3 |
| Molecular Weight (g/mol) | 175.187 |
| MDL Number | MFCD03086105 |
| SMILES | C1=CC=C(C=C1)C2=C(N=CO2)CO |
| Synonym | 5-phenyloxazol-4-yl methanol,5-phenyl-1,3-oxazol-4-yl methanol,5-phenyl-1,3-oxazole-4-methanol,4-oxazolemethanol,5-phenyl,5-phenyl-4-oxazolyl methanol,5-phenyl-oxazol-4-yl-methanol,5-phenyl-1,3-oxazol-4-yl methan-1-ol |
| IUPAC Name | (5-phenyl-1,3-oxazol-4-yl)methanol |
| InChI Key | LVHWTAMRDRDXJP-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO2 |
3-Bromo-2,5-dichlorothiophene, 97%
CAS: 60404-18-4 Molecular Formula: C4HBrCl2S Molecular Weight (g/mol): 231.92 MDL Number: MFCD00041440 InChI Key: PBUHOXBSIQJRNO-UHFFFAOYSA-N PubChem CID: 521925 IUPAC Name: 3-bromo-2,5-dichlorothiophene SMILES: ClC1=CC(Br)=C(Cl)S1
| PubChem CID | 521925 |
|---|---|
| CAS | 60404-18-4 |
| Molecular Weight (g/mol) | 231.92 |
| MDL Number | MFCD00041440 |
| SMILES | ClC1=CC(Br)=C(Cl)S1 |
| IUPAC Name | 3-bromo-2,5-dichlorothiophene |
| InChI Key | PBUHOXBSIQJRNO-UHFFFAOYSA-N |
| Molecular Formula | C4HBrCl2S |
7-Azaindole-5-boronic acid pinacol ester, 97%
CAS: 754214-56-7 Molecular Formula: C13H17BN2O2 Molecular Weight (g/mol): 244.10 MDL Number: MFCD08060937 InChI Key: UOXAMYZTYZLSCC-UHFFFAOYSA-N Synonym: 5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrrolo 2,3-b pyridine,7-azaindole-5-boronic acid pinacol ester,5-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-1h-pyrrolo 2,3-b pyridine,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrrolo 2,3-b pyridine,pyrrolo 2,3-b pyridine-5-boronic acid, pinacol ester,pyrrolo 2,3-b pyridin-5-ylboronic acid pinacol ester,zlchem 1246,pubchem16626,acmc-209szp,ksc641k4p PubChem CID: 24208789 IUPAC Name: 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine SMILES: CC1(C)OB(OC1(C)C)C1=CN=C2NC=CC2=C1
| PubChem CID | 24208789 |
|---|---|
| CAS | 754214-56-7 |
| Molecular Weight (g/mol) | 244.10 |
| MDL Number | MFCD08060937 |
| SMILES | CC1(C)OB(OC1(C)C)C1=CN=C2NC=CC2=C1 |
| Synonym | 5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrrolo 2,3-b pyridine,7-azaindole-5-boronic acid pinacol ester,5-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-1h-pyrrolo 2,3-b pyridine,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrrolo 2,3-b pyridine,pyrrolo 2,3-b pyridine-5-boronic acid, pinacol ester,pyrrolo 2,3-b pyridin-5-ylboronic acid pinacol ester,zlchem 1246,pubchem16626,acmc-209szp,ksc641k4p |
| IUPAC Name | 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine |
| InChI Key | UOXAMYZTYZLSCC-UHFFFAOYSA-N |
| Molecular Formula | C13H17BN2O2 |
6-Phenylnicotinaldehyde, 97%, Thermo Scientific™
CAS: 63056-20-2 Molecular Formula: C12H9NO Molecular Weight (g/mol): 183.21 MDL Number: MFCD03086130 InChI Key: HWDMDOSKSDLXEH-UHFFFAOYSA-N Synonym: 6-phenylnicotinaldehyde,6-phenylpyridine-3-carboxaldehyde,2-phenyl-5-pyridinecarboxaldehyde,6-phenyl-3-pyridinecarboxaldehyde,3-pyridinecarboxaldehyde, 6-phenyl,2-phenylpyridine-5-carbaldehyde,6-phenyl-pyridine-3-carbaldehyde PubChem CID: 2764562 IUPAC Name: 6-phenylpyridine-3-carbaldehyde SMILES: C1=CC=C(C=C1)C2=NC=C(C=C2)C=O
| PubChem CID | 2764562 |
|---|---|
| CAS | 63056-20-2 |
| Molecular Weight (g/mol) | 183.21 |
| MDL Number | MFCD03086130 |
| SMILES | C1=CC=C(C=C1)C2=NC=C(C=C2)C=O |
| Synonym | 6-phenylnicotinaldehyde,6-phenylpyridine-3-carboxaldehyde,2-phenyl-5-pyridinecarboxaldehyde,6-phenyl-3-pyridinecarboxaldehyde,3-pyridinecarboxaldehyde, 6-phenyl,2-phenylpyridine-5-carbaldehyde,6-phenyl-pyridine-3-carbaldehyde |
| IUPAC Name | 6-phenylpyridine-3-carbaldehyde |
| InChI Key | HWDMDOSKSDLXEH-UHFFFAOYSA-N |
| Molecular Formula | C12H9NO |