Organic compounds
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Dimethyl Acetylenedicarboxylate 96.0+%, TCI America™
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CAS: 762-42-5 Molecular Formula: C6H6O4 Molecular Weight (g/mol): 142.11 MDL Number: MFCD00008456 InChI Key: VHILMKFSCRWWIJ-UHFFFAOYSA-N Synonym: dimethyl acetylenedicarboxylate,2-butynedioic acid, dimethyl ester,1,4-dimethyl but-2-ynedioate,dimethyl butynedioate,dimethyl 2-butynedioate,acetylenedicarboxylic acid dimethyl ester,dmad,methyl acetylenedicarboxylate,bis methoxycarbonyl acetylene,di carbomethoxy acetylene PubChem CID: 12980 IUPAC Name: dimethyl but-2-ynedioate SMILES: COC(=O)C#CC(=O)OC
| PubChem CID | 12980 |
|---|---|
| CAS | 762-42-5 |
| Molecular Weight (g/mol) | 142.11 |
| MDL Number | MFCD00008456 |
| SMILES | COC(=O)C#CC(=O)OC |
| Synonym | dimethyl acetylenedicarboxylate,2-butynedioic acid, dimethyl ester,1,4-dimethyl but-2-ynedioate,dimethyl butynedioate,dimethyl 2-butynedioate,acetylenedicarboxylic acid dimethyl ester,dmad,methyl acetylenedicarboxylate,bis methoxycarbonyl acetylene,di carbomethoxy acetylene |
| IUPAC Name | dimethyl but-2-ynedioate |
| InChI Key | VHILMKFSCRWWIJ-UHFFFAOYSA-N |
| Molecular Formula | C6H6O4 |
2,2-Dimethylglutaric Acid 98.0+%, TCI America™
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CAS: 681-57-2 Molecular Formula: C7H12O4 Molecular Weight (g/mol): 160.169 MDL Number: MFCD00004197 InChI Key: BTUDGPVTCYNYLK-UHFFFAOYSA-N Synonym: 2,2-dimethylglutaric acid,2,2-dimethylglutaricacid,unii-s46amq2g6c,pentanedioic acid, dimethyl,s46amq2g6c,glutaric acid, 2,2-dimethyl,.alpha.,.alpha.-dimethylglutaric acid,pentanedioic acid, 2,2-dimethyl,dimethylglutaric acid,dsstox_cid_1585 PubChem CID: 12681 ChEBI: CHEBI:68459 IUPAC Name: 2,2-dimethylpentanedioic acid SMILES: CC(C)(CCC(=O)O)C(=O)O
| PubChem CID | 12681 |
|---|---|
| CAS | 681-57-2 |
| Molecular Weight (g/mol) | 160.169 |
| ChEBI | CHEBI:68459 |
| MDL Number | MFCD00004197 |
| SMILES | CC(C)(CCC(=O)O)C(=O)O |
| Synonym | 2,2-dimethylglutaric acid,2,2-dimethylglutaricacid,unii-s46amq2g6c,pentanedioic acid, dimethyl,s46amq2g6c,glutaric acid, 2,2-dimethyl,.alpha.,.alpha.-dimethylglutaric acid,pentanedioic acid, 2,2-dimethyl,dimethylglutaric acid,dsstox_cid_1585 |
| IUPAC Name | 2,2-dimethylpentanedioic acid |
| InChI Key | BTUDGPVTCYNYLK-UHFFFAOYSA-N |
| Molecular Formula | C7H12O4 |
4-Amino-4'-dimethylaminoazobenzene 97.0+%, TCI America™
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CAS: 539-17-3 Molecular Formula: C14H16N4 Molecular Weight (g/mol): 240.31 MDL Number: MFCD00010204 InChI Key: BVRIUXYMUSKBHG-UHFFFAOYSA-N Synonym: n,n-dimethyl-4,4'-azodianiline,4'-amino-dab,c.i. disperse black 3,adab,acetile diazo black n,acetile diazo black r,4-amino-4'-dimethylaminoazobenzene,supracet diazo black a,diazo nero microsetile g,microsetile diazo black g PubChem CID: 10872 IUPAC Name: 4-[2-(4-aminophenyl)diazen-1-yl]-N,N-dimethylaniline SMILES: CN(C)C1=CC=C(C=C1)N=NC1=CC=C(N)C=C1
| PubChem CID | 10872 |
|---|---|
| CAS | 539-17-3 |
| Molecular Weight (g/mol) | 240.31 |
| MDL Number | MFCD00010204 |
| SMILES | CN(C)C1=CC=C(C=C1)N=NC1=CC=C(N)C=C1 |
| Synonym | n,n-dimethyl-4,4'-azodianiline,4'-amino-dab,c.i. disperse black 3,adab,acetile diazo black n,acetile diazo black r,4-amino-4'-dimethylaminoazobenzene,supracet diazo black a,diazo nero microsetile g,microsetile diazo black g |
| IUPAC Name | 4-[2-(4-aminophenyl)diazen-1-yl]-N,N-dimethylaniline |
| InChI Key | BVRIUXYMUSKBHG-UHFFFAOYSA-N |
| Molecular Formula | C14H16N4 |
6'-Methoxy-2,3'-bipyridyl 97.0+%, TCI America™
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CAS: 381725-49-1 Molecular Formula: C11H10N2O Molecular Weight (g/mol): 186.214 MDL Number: MFCD11707142 InChI Key: HRVJUCXZUHFRNP-UHFFFAOYSA-N Synonym: 6′C-Methoxy-2,3′C-bipyridine PubChem CID: 10899365 IUPAC Name: 2-methoxy-5-pyridin-2-ylpyridine SMILES: COC1=NC=C(C=C1)C2=CC=CC=N2
| PubChem CID | 10899365 |
|---|---|
| CAS | 381725-49-1 |
| Molecular Weight (g/mol) | 186.214 |
| MDL Number | MFCD11707142 |
| SMILES | COC1=NC=C(C=C1)C2=CC=CC=N2 |
| Synonym | 6′C-Methoxy-2,3′C-bipyridine |
| IUPAC Name | 2-methoxy-5-pyridin-2-ylpyridine |
| InChI Key | HRVJUCXZUHFRNP-UHFFFAOYSA-N |
| Molecular Formula | C11H10N2O |
3-Oxabicyclo[3.1.0]hexane-2,4-dione 98.0+%, TCI America™
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CAS: 5617-74-3 Molecular Formula: C5H4O3 Molecular Weight (g/mol): 112.084 MDL Number: MFCD00126929 InChI Key: ZRMYHUFDVLRYPN-UHFFFAOYSA-N Synonym: 3-oxabicyclo 3.1.0 hexane-2,4-dione,1,2-cyclopropanedicarboxylic anhydride,oxabicyclohexanedione,pubchem18320,cyclopropane-1,2-dicarboxylic anhydride,2,4-dioxo-3-oxabicyclo 3.1.0 hexane,3-oxa-bicyclo 3.1.0 hexane-2,4-dione,3-oxabicyclo 3.1.0-hexane-2,4-dione,3-oxa-bicyclo 3.1.0-hexane-2,4-dione PubChem CID: 2734721 IUPAC Name: 3-oxabicyclo[3.1.0]hexane-2,4-dione SMILES: C1C2C1C(=O)OC2=O
| PubChem CID | 2734721 |
|---|---|
| CAS | 5617-74-3 |
| Molecular Weight (g/mol) | 112.084 |
| MDL Number | MFCD00126929 |
| SMILES | C1C2C1C(=O)OC2=O |
| Synonym | 3-oxabicyclo 3.1.0 hexane-2,4-dione,1,2-cyclopropanedicarboxylic anhydride,oxabicyclohexanedione,pubchem18320,cyclopropane-1,2-dicarboxylic anhydride,2,4-dioxo-3-oxabicyclo 3.1.0 hexane,3-oxa-bicyclo 3.1.0 hexane-2,4-dione,3-oxabicyclo 3.1.0-hexane-2,4-dione,3-oxa-bicyclo 3.1.0-hexane-2,4-dione |
| IUPAC Name | 3-oxabicyclo[3.1.0]hexane-2,4-dione |
| InChI Key | ZRMYHUFDVLRYPN-UHFFFAOYSA-N |
| Molecular Formula | C5H4O3 |
Benzyl Dimethylphosphonoacetate 97.0+%, TCI America™
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CAS: 57443-18-2 Molecular Formula: C11H15O5P Molecular Weight (g/mol): 258.21 InChI Key: QYLGNJMIOVHLQQ-UHFFFAOYSA-N Synonym: benzyl dimethylphosphonoacetate,benzyl 2-dimethoxyphosphoryl acetate,benzyl dimethyl phosphonoacetate,dimethyl benzyloxycarbonyl methyl phosphonate,acetic acid, dimethoxyphosphinyl-, phenylmethyl ester,acmc-209ly9,benzyl dimethylphosphonoethanoate,dimethyl cbz-methyl phosphonate,benzyl dimethoxyphosphoryl acetate,benzyl-2-dimethoxyphosphoryl acetate PubChem CID: 2773759 IUPAC Name: benzyl 2-dimethoxyphosphorylacetate SMILES: COP(=O)(CC(=O)OCC1=CC=CC=C1)OC
| PubChem CID | 2773759 |
|---|---|
| CAS | 57443-18-2 |
| Molecular Weight (g/mol) | 258.21 |
| SMILES | COP(=O)(CC(=O)OCC1=CC=CC=C1)OC |
| Synonym | benzyl dimethylphosphonoacetate,benzyl 2-dimethoxyphosphoryl acetate,benzyl dimethyl phosphonoacetate,dimethyl benzyloxycarbonyl methyl phosphonate,acetic acid, dimethoxyphosphinyl-, phenylmethyl ester,acmc-209ly9,benzyl dimethylphosphonoethanoate,dimethyl cbz-methyl phosphonate,benzyl dimethoxyphosphoryl acetate,benzyl-2-dimethoxyphosphoryl acetate |
| IUPAC Name | benzyl 2-dimethoxyphosphorylacetate |
| InChI Key | QYLGNJMIOVHLQQ-UHFFFAOYSA-N |
| Molecular Formula | C11H15O5P |
Tetrahydro-2H-thiopyran-4-ol 98.0+%, TCI America™
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CAS: 29683-23-6 Molecular Formula: C5H10OS Molecular Weight (g/mol): 118.19 MDL Number: MFCD02942489 InChI Key: YODQQARABJQLIP-UHFFFAOYSA-N Synonym: tetrahydro-2h-thiopyran-4-ol,tetrahydrothiopyran-4-ol,thiacyclohexane-4-ol,2h-thiopyran-4-ol, tetrahydro,4-hydroxythiane,acmc-209ydy,tetrahydrothiapyran-4-ol,4-hydroxytetrahydrothiopyran,4-hydroxy-tetrahydrothiopyran,tetrahydro-4h-thiopyran-4-ol PubChem CID: 576296 IUPAC Name: thian-4-ol SMILES: OC1CCSCC1
| PubChem CID | 576296 |
|---|---|
| CAS | 29683-23-6 |
| Molecular Weight (g/mol) | 118.19 |
| MDL Number | MFCD02942489 |
| SMILES | OC1CCSCC1 |
| Synonym | tetrahydro-2h-thiopyran-4-ol,tetrahydrothiopyran-4-ol,thiacyclohexane-4-ol,2h-thiopyran-4-ol, tetrahydro,4-hydroxythiane,acmc-209ydy,tetrahydrothiapyran-4-ol,4-hydroxytetrahydrothiopyran,4-hydroxy-tetrahydrothiopyran,tetrahydro-4h-thiopyran-4-ol |
| IUPAC Name | thian-4-ol |
| InChI Key | YODQQARABJQLIP-UHFFFAOYSA-N |
| Molecular Formula | C5H10OS |
1,2,4,5-Tetrakis(tert-butylthio)benzene 98.0+%, TCI America™
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CAS: 447463-65-2 Molecular Formula: C22H38S4 Molecular Weight (g/mol): 430.786 InChI Key: LOCUYYPERSWXJI-UHFFFAOYSA-N PubChem CID: 11812054 IUPAC Name: 1,2,4,5-tetrakis(tert-butylsulfanyl)benzene SMILES: CC(C)(C)SC1=CC(=C(C=C1SC(C)(C)C)SC(C)(C)C)SC(C)(C)C
| PubChem CID | 11812054 |
|---|---|
| CAS | 447463-65-2 |
| Molecular Weight (g/mol) | 430.786 |
| SMILES | CC(C)(C)SC1=CC(=C(C=C1SC(C)(C)C)SC(C)(C)C)SC(C)(C)C |
| IUPAC Name | 1,2,4,5-tetrakis(tert-butylsulfanyl)benzene |
| InChI Key | LOCUYYPERSWXJI-UHFFFAOYSA-N |
| Molecular Formula | C22H38S4 |
Coumalic Acid 97.0+%, TCI America™
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CAS: 500-05-0 Molecular Formula: C6H4O4 Molecular Weight (g/mol): 140.09 MDL Number: MFCD00006644 InChI Key: ORGPJDKNYMVLFL-UHFFFAOYSA-N Synonym: coumalic acid,2-oxo-2h-pyran-5-carboxylic acid,cumalic acid,2h-pyran-5-carboxylic acid, 2-oxo,2-oxopyran-5-carboxylic acid,unii-ob1jpy343g,2-pyrone-5-carboxylic acid,alpha-pyrone-5-carboxylic acid,.alpha.-pyrone-5-carboxylic acid,ob1jpy343g PubChem CID: 68141 IUPAC Name: 2-oxo-2H-pyran-5-carboxylic acid SMILES: OC(=O)C1=COC(=O)C=C1
| PubChem CID | 68141 |
|---|---|
| CAS | 500-05-0 |
| Molecular Weight (g/mol) | 140.09 |
| MDL Number | MFCD00006644 |
| SMILES | OC(=O)C1=COC(=O)C=C1 |
| Synonym | coumalic acid,2-oxo-2h-pyran-5-carboxylic acid,cumalic acid,2h-pyran-5-carboxylic acid, 2-oxo,2-oxopyran-5-carboxylic acid,unii-ob1jpy343g,2-pyrone-5-carboxylic acid,alpha-pyrone-5-carboxylic acid,.alpha.-pyrone-5-carboxylic acid,ob1jpy343g |
| IUPAC Name | 2-oxo-2H-pyran-5-carboxylic acid |
| InChI Key | ORGPJDKNYMVLFL-UHFFFAOYSA-N |
| Molecular Formula | C6H4O4 |
2-Bromobenzimidazole 98.0+%, TCI America™
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CAS: 54624-57-6 Molecular Formula: C7H5BrN2 Molecular Weight (g/mol): 197.035 MDL Number: MFCD00160009 InChI Key: PHPYXVIHDRDPDI-UHFFFAOYSA-N PubChem CID: 2776281 IUPAC Name: 2-bromo-1H-benzimidazole SMILES: C1=CC=C2C(=C1)NC(=N2)Br
| PubChem CID | 2776281 |
|---|---|
| CAS | 54624-57-6 |
| Molecular Weight (g/mol) | 197.035 |
| MDL Number | MFCD00160009 |
| SMILES | C1=CC=C2C(=C1)NC(=N2)Br |
| IUPAC Name | 2-bromo-1H-benzimidazole |
| InChI Key | PHPYXVIHDRDPDI-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrN2 |
Tetradecane 99.0+%, TCI America™
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CAS: 629-59-4 Molecular Formula: C14H30 Molecular Weight (g/mol): 198.394 MDL Number: MFCD00008986 InChI Key: BGHCVCJVXZWKCC-UHFFFAOYSA-N Synonym: n-tetradecane,alkanes, c14-16,tridecane, methyl,ccris 715,tetradecane, analytical standard,alkanes, c14-30,myristyl,tetradekan,n-teradecane,olefine PubChem CID: 12389 ChEBI: CHEBI:41253 IUPAC Name: tetradecane SMILES: CCCCCCCCCCCCCC
| PubChem CID | 12389 |
|---|---|
| CAS | 629-59-4 |
| Molecular Weight (g/mol) | 198.394 |
| ChEBI | CHEBI:41253 |
| MDL Number | MFCD00008986 |
| SMILES | CCCCCCCCCCCCCC |
| Synonym | n-tetradecane,alkanes, c14-16,tridecane, methyl,ccris 715,tetradecane, analytical standard,alkanes, c14-30,myristyl,tetradekan,n-teradecane,olefine |
| IUPAC Name | tetradecane |
| InChI Key | BGHCVCJVXZWKCC-UHFFFAOYSA-N |
| Molecular Formula | C14H30 |
(R)-(-)-2-Methylpiperazine 98.0+%, TCI America™
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CAS: 75336-86-6 Molecular Formula: C5H12N2 Molecular Weight (g/mol): 100.165 MDL Number: MFCD00192317 InChI Key: JOMNTHCQHJPVAZ-RXMQYKEDSA-N Synonym: r---2-methylpiperazine,r-2-methylpiperazine,2r-2-methylpiperazine,r-mp,piperazine, 2-methyl-, 2r,r-2-methyl-piperazine,2-methylpiperazine, r,unii-p4xu643r8w PubChem CID: 7330434 IUPAC Name: (2R)-2-methylpiperazine SMILES: CC1CNCCN1
| PubChem CID | 7330434 |
|---|---|
| CAS | 75336-86-6 |
| Molecular Weight (g/mol) | 100.165 |
| MDL Number | MFCD00192317 |
| SMILES | CC1CNCCN1 |
| Synonym | r---2-methylpiperazine,r-2-methylpiperazine,2r-2-methylpiperazine,r-mp,piperazine, 2-methyl-, 2r,r-2-methyl-piperazine,2-methylpiperazine, r,unii-p4xu643r8w |
| IUPAC Name | (2R)-2-methylpiperazine |
| InChI Key | JOMNTHCQHJPVAZ-RXMQYKEDSA-N |
| Molecular Formula | C5H12N2 |
trans-1,4-Bis(aminomethyl)cyclohexane 98.0+%, TCI America™
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CAS: 10029-07-9 Molecular Formula: C8H18N2 Molecular Weight (g/mol): 142.25 MDL Number: MFCD00039463,MFCD20037427,MFCD20617651 InChI Key: OXIKYYJDTWKERT-UHFFFAOYSA-N Synonym: trans-1,4-Di(aminomethyl)cyclohexane, trans-Hexahydro-p-xylylenediamine PubChem CID: 17354 IUPAC Name: 1-[4-(aminomethyl)cyclohexyl]methanamine SMILES: NCC1CCC(CN)CC1
| PubChem CID | 17354 |
|---|---|
| CAS | 10029-07-9 |
| Molecular Weight (g/mol) | 142.25 |
| MDL Number | MFCD00039463,MFCD20037427,MFCD20617651 |
| SMILES | NCC1CCC(CN)CC1 |
| Synonym | trans-1,4-Di(aminomethyl)cyclohexane, trans-Hexahydro-p-xylylenediamine |
| IUPAC Name | 1-[4-(aminomethyl)cyclohexyl]methanamine |
| InChI Key | OXIKYYJDTWKERT-UHFFFAOYSA-N |
| Molecular Formula | C8H18N2 |
Safinamide 98.0+%, TCI America™
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CAS: 133865-89-1 Molecular Formula: C17H19FN2O2 Molecular Weight (g/mol): 302.349 MDL Number: MFCD00897036 InChI Key: NEMGRZFTLSKBAP-LBPRGKRZSA-N Synonym: (S)-2-[[4-[(3-Fluorobenzyl)oxy]benzyl]amino]propionamide PubChem CID: 131682 IUPAC Name: (2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide SMILES: CC(C(=O)N)NCC1=CC=C(C=C1)OCC2=CC(=CC=C2)F
| PubChem CID | 131682 |
|---|---|
| CAS | 133865-89-1 |
| Molecular Weight (g/mol) | 302.349 |
| MDL Number | MFCD00897036 |
| SMILES | CC(C(=O)N)NCC1=CC=C(C=C1)OCC2=CC(=CC=C2)F |
| Synonym | (S)-2-[[4-[(3-Fluorobenzyl)oxy]benzyl]amino]propionamide |
| IUPAC Name | (2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide |
| InChI Key | NEMGRZFTLSKBAP-LBPRGKRZSA-N |
| Molecular Formula | C17H19FN2O2 |
4-Phenylbutylamine Hydrochloride 98.0+%, TCI America™
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CAS: 30684-06-1 Molecular Formula: C10H16ClN Molecular Weight (g/mol): 185.695 MDL Number: MFCD03093616 InChI Key: DGDORWAJHREUEO-UHFFFAOYSA-N Synonym: 1-Amino-4-phenylbutane Hydrochloride PubChem CID: 44630065 IUPAC Name: 4-phenylbutan-1-amine;hydrochloride SMILES: C1=CC=C(C=C1)CCCCN.Cl
| PubChem CID | 44630065 |
|---|---|
| CAS | 30684-06-1 |
| Molecular Weight (g/mol) | 185.695 |
| MDL Number | MFCD03093616 |
| SMILES | C1=CC=C(C=C1)CCCCN.Cl |
| Synonym | 1-Amino-4-phenylbutane Hydrochloride |
| IUPAC Name | 4-phenylbutan-1-amine;hydrochloride |
| InChI Key | DGDORWAJHREUEO-UHFFFAOYSA-N |
| Molecular Formula | C10H16ClN |