Organic acids and derivatives
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Capecitabine, 99%
CAS: 154361-50-9 Molecular Formula: C15H22FN3O6 Molecular Weight (g/mol): 359.35 InChI Key: GAGWJHPBXLXJQN-UORFTKCHSA-N Synonym: capecitabine,xeloda,capiibine,capecitibine,caxeta,xabine,capecitabine usan,capecitabina,capecitabinum,capecitabin PubChem CID: 60953 ChEBI: CHEBI:31348 IUPAC Name: pentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate SMILES: CCCCCOC(=O)NC1=NC(=O)N(C=C1F)C2C(C(C(O2)C)O)O
| PubChem CID | 60953 |
|---|---|
| CAS | 154361-50-9 |
| Molecular Weight (g/mol) | 359.35 |
| ChEBI | CHEBI:31348 |
| SMILES | CCCCCOC(=O)NC1=NC(=O)N(C=C1F)C2C(C(C(O2)C)O)O |
| Synonym | capecitabine,xeloda,capiibine,capecitibine,caxeta,xabine,capecitabine usan,capecitabina,capecitabinum,capecitabin |
| IUPAC Name | pentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate |
| InChI Key | GAGWJHPBXLXJQN-UORFTKCHSA-N |
| Molecular Formula | C15H22FN3O6 |
N,N-Dimethylformamide diethyl acetal, 95%
CAS: 1188-33-6 Molecular Formula: C7H17NO2 Molecular Weight (g/mol): 147.22 MDL Number: MFCD00009227 InChI Key: BWKAYBPLDRWMCJ-UHFFFAOYSA-N Synonym: n,n-dimethylformamide diethyl acetal,1,1-diethoxytrimethylamine,methanamine, 1,1-diethoxy-n,n-dimethyl,n,n-dimethyformamide diethy acetal,diethoxymethyl dimethylamine,n,n-dimethylformamide diethylacetal,dimethylformamide diethylacetal,1,1-diethoxy trimethyl amine,1,1-diethoxy-n,n-dimethylmethylamine,1,1-diethoxy-n,n-dimethyl-methanamine PubChem CID: 70913 IUPAC Name: 1,1-diethoxy-N,N-dimethylmethanamine SMILES: CCOC(N(C)C)OCC
| PubChem CID | 70913 |
|---|---|
| CAS | 1188-33-6 |
| Molecular Weight (g/mol) | 147.22 |
| MDL Number | MFCD00009227 |
| SMILES | CCOC(N(C)C)OCC |
| Synonym | n,n-dimethylformamide diethyl acetal,1,1-diethoxytrimethylamine,methanamine, 1,1-diethoxy-n,n-dimethyl,n,n-dimethyformamide diethy acetal,diethoxymethyl dimethylamine,n,n-dimethylformamide diethylacetal,dimethylformamide diethylacetal,1,1-diethoxy trimethyl amine,1,1-diethoxy-n,n-dimethylmethylamine,1,1-diethoxy-n,n-dimethyl-methanamine |
| IUPAC Name | 1,1-diethoxy-N,N-dimethylmethanamine |
| InChI Key | BWKAYBPLDRWMCJ-UHFFFAOYSA-N |
| Molecular Formula | C7H17NO2 |
Methyl 1-cyclopentene-1-carboxylate, 95%
CAS: 25662-28-6 Molecular Formula: C7H10O2 Molecular Weight (g/mol): 126.16 MDL Number: MFCD00239506 InChI Key: VTYCAXIAUKEGBQ-UHFFFAOYSA-N Synonym: methyl 1-cyclopentene-1-carboxylate,methyl cyclopent-1-enecarboxylate,methyl cyclopent-1-ene-1-carboxylate,cyclopentene-1-carboxylic acid methyl ester,methyl 1-cyclopentenecarboxylate,1-cyclopentenecarboxylic acid methyl ester,1-cyclopentene-1-carboxylic acid, methyl ester,methyl1-cyclopentene-1-carboxylate,1-cyclopentene-1-carboxylic acid methyl ester,pubchem2487 PubChem CID: 549129 IUPAC Name: methyl cyclopentene-1-carboxylate SMILES: COC(=O)C1=CCCC1
| PubChem CID | 549129 |
|---|---|
| CAS | 25662-28-6 |
| Molecular Weight (g/mol) | 126.16 |
| MDL Number | MFCD00239506 |
| SMILES | COC(=O)C1=CCCC1 |
| Synonym | methyl 1-cyclopentene-1-carboxylate,methyl cyclopent-1-enecarboxylate,methyl cyclopent-1-ene-1-carboxylate,cyclopentene-1-carboxylic acid methyl ester,methyl 1-cyclopentenecarboxylate,1-cyclopentenecarboxylic acid methyl ester,1-cyclopentene-1-carboxylic acid, methyl ester,methyl1-cyclopentene-1-carboxylate,1-cyclopentene-1-carboxylic acid methyl ester,pubchem2487 |
| IUPAC Name | methyl cyclopentene-1-carboxylate |
| InChI Key | VTYCAXIAUKEGBQ-UHFFFAOYSA-N |
| Molecular Formula | C7H10O2 |
1,1-Dimethylurea, 98+%
CAS: 598-94-7 Molecular Formula: C3H8N2O Molecular Weight (g/mol): 88.11 MDL Number: MFCD00007959 InChI Key: YBBLOADPFWKNGS-UHFFFAOYSA-N Synonym: n,n-dimethylurea,urea, n,n-dimethyl,asym-dimethylurea,urea, dimethyl,urea, 1,1-dimethyl,n,n-dimethylharnstoff german,n,n-dimethylharnstoff,dimethyl urea,1.1-dimethylurea,1,1-dimethyl-urea PubChem CID: 11737 IUPAC Name: 1,1-dimethylurea SMILES: CN(C)C(=O)N
| PubChem CID | 11737 |
|---|---|
| CAS | 598-94-7 |
| Molecular Weight (g/mol) | 88.11 |
| MDL Number | MFCD00007959 |
| SMILES | CN(C)C(=O)N |
| Synonym | n,n-dimethylurea,urea, n,n-dimethyl,asym-dimethylurea,urea, dimethyl,urea, 1,1-dimethyl,n,n-dimethylharnstoff german,n,n-dimethylharnstoff,dimethyl urea,1.1-dimethylurea,1,1-dimethyl-urea |
| IUPAC Name | 1,1-dimethylurea |
| InChI Key | YBBLOADPFWKNGS-UHFFFAOYSA-N |
| Molecular Formula | C3H8N2O |
4-Acryloylmorpholine, 97%
CAS: 5117-12-4 Molecular Formula: C7H11NO2 Molecular Weight (g/mol): 141.17 InChI Key: XLPJNCYCZORXHG-UHFFFAOYSA-N SMILES: C=CC(=O)N1CCOCC1
| CAS | 5117-12-4 |
|---|---|
| Molecular Weight (g/mol) | 141.17 |
| SMILES | C=CC(=O)N1CCOCC1 |
| InChI Key | XLPJNCYCZORXHG-UHFFFAOYSA-N |
| Molecular Formula | C7H11NO2 |
Perfluorooctanesulfonamide, 95%
CAS: 754-91-6 Molecular Formula: C8H2F17NO2S Molecular Weight (g/mol): 499.15 InChI Key: RRRXPPIDPYTNJG-UHFFFAOYSA-N Synonym: perfluorooctanesulfonamide,perfluoroctylsulfonamide,perfluorooctane sulfonamide,pfosa,heptadecafluorooctanesulphonamide,perfluorooctanesulfonic acid amide,unii-80am718fml,1-octanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro,deethylsulfluramie,perfluorooctanesulphonamide PubChem CID: 69785 IUPAC Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide SMILES: C(C(C(C(C(F)(F)S(=O)(=O)N)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F
| PubChem CID | 69785 |
|---|---|
| CAS | 754-91-6 |
| Molecular Weight (g/mol) | 499.15 |
| SMILES | C(C(C(C(C(F)(F)S(=O)(=O)N)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F |
| Synonym | perfluorooctanesulfonamide,perfluoroctylsulfonamide,perfluorooctane sulfonamide,pfosa,heptadecafluorooctanesulphonamide,perfluorooctanesulfonic acid amide,unii-80am718fml,1-octanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro,deethylsulfluramie,perfluorooctanesulphonamide |
| IUPAC Name | 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide |
| InChI Key | RRRXPPIDPYTNJG-UHFFFAOYSA-N |
| Molecular Formula | C8H2F17NO2S |
Methyl alpha-bromophenylacetate, 97+%
CAS: 3042-81-7 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.07 MDL Number: MFCD00013535 InChI Key: NHFBYYMNJUMVOT-UHFFFAOYSA-N Synonym: methyl alpha-bromophenylacetate,methyl bromophenylacetate,methyl bromo phenyl acetate,methyl .alpha.-bromophenylacetate,methyl2-bromo-2-phenylacetate,methyl .alpha.-bromobenzeneacetate,benzeneacetic acid, .alpha.-bromo-, methyl ester,+/--methyl alpha-bromophenylacetate,alpha-bromophenylacetic acid methyl ester,methyl .alpha.-bromo-.alpha.-phenylacetate PubChem CID: 137806 IUPAC Name: methyl 2-bromo-2-phenylacetate SMILES: COC(=O)C(C1=CC=CC=C1)Br
| PubChem CID | 137806 |
|---|---|
| CAS | 3042-81-7 |
| Molecular Weight (g/mol) | 229.07 |
| MDL Number | MFCD00013535 |
| SMILES | COC(=O)C(C1=CC=CC=C1)Br |
| Synonym | methyl alpha-bromophenylacetate,methyl bromophenylacetate,methyl bromo phenyl acetate,methyl .alpha.-bromophenylacetate,methyl2-bromo-2-phenylacetate,methyl .alpha.-bromobenzeneacetate,benzeneacetic acid, .alpha.-bromo-, methyl ester,+/--methyl alpha-bromophenylacetate,alpha-bromophenylacetic acid methyl ester,methyl .alpha.-bromo-.alpha.-phenylacetate |
| IUPAC Name | methyl 2-bromo-2-phenylacetate |
| InChI Key | NHFBYYMNJUMVOT-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO2 |
2-Trifluoromethoxyphenylboronic acid, 97%
CAS: 175676-65-0 Molecular Formula: C7H6BF3O3 Molecular Weight (g/mol): 205.93 MDL Number: MFCD01320763 InChI Key: AIJCNTOYZPKURP-UHFFFAOYSA-N Synonym: 2-trifluoromethoxy phenylboronic acid,2-trifluoromethoxyphenylboronic acid,2-trifluormethoxy phenylboronic acid,2-trifluoromethoxy benzeneboronic acid,2-trifluoromethoxy phenyl boronic acid,2-trifluormethoxyphenylboronic acid,o-trifluoromethoxy phenylboronic acid,2-trifluoromethoxy phenyl boranediol,boronic acid, 2-trifluoromethoxy phenyl PubChem CID: 2777204 IUPAC Name: [2-(trifluoromethoxy)phenyl]boronic acid SMILES: OB(O)C1=CC=CC=C1OC(F)(F)F
| PubChem CID | 2777204 |
|---|---|
| CAS | 175676-65-0 |
| Molecular Weight (g/mol) | 205.93 |
| MDL Number | MFCD01320763 |
| SMILES | OB(O)C1=CC=CC=C1OC(F)(F)F |
| Synonym | 2-trifluoromethoxy phenylboronic acid,2-trifluoromethoxyphenylboronic acid,2-trifluormethoxy phenylboronic acid,2-trifluoromethoxy benzeneboronic acid,2-trifluoromethoxy phenyl boronic acid,2-trifluormethoxyphenylboronic acid,o-trifluoromethoxy phenylboronic acid,2-trifluoromethoxy phenyl boranediol,boronic acid, 2-trifluoromethoxy phenyl |
| IUPAC Name | [2-(trifluoromethoxy)phenyl]boronic acid |
| InChI Key | AIJCNTOYZPKURP-UHFFFAOYSA-N |
| Molecular Formula | C7H6BF3O3 |
6-chlorooxindole, 98%, Thermo Scientific™
CAS: 56341-37-8 Molecular Formula: C8H6ClNO Molecular Weight (g/mol): 167.59 MDL Number: MFCD00209962 InChI Key: CENVPIZOTHULGJ-UHFFFAOYSA-N Synonym: 6-chlorooxindole,6-chloroindolin-2-one,6-chloro-2-oxindole,6-chloro-2-indolinone,6-chloro-1,3-dihydro-2h-indol-2-one,6-chloro 2-oxindole,2h-indol-2-one, 6-chloro-1,3-dihydro,6-chloro-1,3-dihydro-indol-2-one,6-chloroindole-2 3h-one,6-chloro-2,3-dihydro-1h-indol-2-one PubChem CID: 736344 IUPAC Name: 6-chloro-1,3-dihydroindol-2-one SMILES: C1C2=C(C=C(C=C2)Cl)NC1=O
| PubChem CID | 736344 |
|---|---|
| CAS | 56341-37-8 |
| Molecular Weight (g/mol) | 167.59 |
| MDL Number | MFCD00209962 |
| SMILES | C1C2=C(C=C(C=C2)Cl)NC1=O |
| Synonym | 6-chlorooxindole,6-chloroindolin-2-one,6-chloro-2-oxindole,6-chloro-2-indolinone,6-chloro-1,3-dihydro-2h-indol-2-one,6-chloro 2-oxindole,2h-indol-2-one, 6-chloro-1,3-dihydro,6-chloro-1,3-dihydro-indol-2-one,6-chloroindole-2 3h-one,6-chloro-2,3-dihydro-1h-indol-2-one |
| IUPAC Name | 6-chloro-1,3-dihydroindol-2-one |
| InChI Key | CENVPIZOTHULGJ-UHFFFAOYSA-N |
| Molecular Formula | C8H6ClNO |
Valeramide, 97%
CAS: 626-97-1 Molecular Formula: C5H11NO Molecular Weight (g/mol): 101.15 MDL Number: MFCD00041895 InChI Key: IPWFJLQDVFKJDU-UHFFFAOYSA-N Synonym: valeramide,n-valeramide,pentanimidic acid,unii-tkl9tn43qk,tkl9tn43qk,ksc353i5p,ipwfjlqdvfkjdu-uhfffaoysa,valeramide, pharmaceutical impurity standard PubChem CID: 12298 ChEBI: CHEBI:16459 IUPAC Name: pentanamide SMILES: CCCCC(=O)N
| PubChem CID | 12298 |
|---|---|
| CAS | 626-97-1 |
| Molecular Weight (g/mol) | 101.15 |
| ChEBI | CHEBI:16459 |
| MDL Number | MFCD00041895 |
| SMILES | CCCCC(=O)N |
| Synonym | valeramide,n-valeramide,pentanimidic acid,unii-tkl9tn43qk,tkl9tn43qk,ksc353i5p,ipwfjlqdvfkjdu-uhfffaoysa,valeramide, pharmaceutical impurity standard |
| IUPAC Name | pentanamide |
| InChI Key | IPWFJLQDVFKJDU-UHFFFAOYSA-N |
| Molecular Formula | C5H11NO |
Ethyl formate, 98+%, Extra Dry, AcroSeal™
CAS: 109-94-4 Molecular Formula: C3H6O2 Molecular Weight (g/mol): 74.08 MDL Number: MFCD00003294 InChI Key: WBJINCZRORDGAQ-UHFFFAOYSA-N Synonym: areginal,formic acid, ethyl ester,ethyl methanoate,formic acid ethyl ester,aethylformiat,ethyl formic ester,ethylformate,ethylformiaat,formic ether,ethylformiat PubChem CID: 8025 ChEBI: CHEBI:52342 IUPAC Name: ethyl formate SMILES: CCOC=O
| PubChem CID | 8025 |
|---|---|
| CAS | 109-94-4 |
| Molecular Weight (g/mol) | 74.08 |
| ChEBI | CHEBI:52342 |
| MDL Number | MFCD00003294 |
| SMILES | CCOC=O |
| Synonym | areginal,formic acid, ethyl ester,ethyl methanoate,formic acid ethyl ester,aethylformiat,ethyl formic ester,ethylformate,ethylformiaat,formic ether,ethylformiat |
| IUPAC Name | ethyl formate |
| InChI Key | WBJINCZRORDGAQ-UHFFFAOYSA-N |
| Molecular Formula | C3H6O2 |
2-Ethylhexyl methacrylate, 99%, stabilized
CAS: 688-84-6 Molecular Formula: C12H22O2 Molecular Weight (g/mol): 198.31 MDL Number: MFCD00009494 InChI Key: WDQMWEYDKDCEHT-UHFFFAOYSA-N Synonym: 2-ethylhexyl methacrylate,2-ethyl-1-hexyl methacrylate,2-ethylhexyl methacryate,2-propenoic acid, 2-methyl-, 2-ethylhexyl ester,methacrylic acid 2-ethylhexyl ester,methacrylic acid, 2-ethylhexyl ester,methacrylate, 2-ethylisohexy,2-ethylhexylmethacrylate,dsstox_cid_7293,dsstox_rid_78391 PubChem CID: 12713 IUPAC Name: 2-ethylhexyl 2-methylprop-2-enoate SMILES: CCCCC(CC)COC(=O)C(=C)C
| PubChem CID | 12713 |
|---|---|
| CAS | 688-84-6 |
| Molecular Weight (g/mol) | 198.31 |
| MDL Number | MFCD00009494 |
| SMILES | CCCCC(CC)COC(=O)C(=C)C |
| Synonym | 2-ethylhexyl methacrylate,2-ethyl-1-hexyl methacrylate,2-ethylhexyl methacryate,2-propenoic acid, 2-methyl-, 2-ethylhexyl ester,methacrylic acid 2-ethylhexyl ester,methacrylic acid, 2-ethylhexyl ester,methacrylate, 2-ethylisohexy,2-ethylhexylmethacrylate,dsstox_cid_7293,dsstox_rid_78391 |
| IUPAC Name | 2-ethylhexyl 2-methylprop-2-enoate |
| InChI Key | WDQMWEYDKDCEHT-UHFFFAOYSA-N |
| Molecular Formula | C12H22O2 |
tert-Butyl propiolate, 98%
CAS: 13831-03-3 Molecular Formula: C7H10O2 Molecular Weight (g/mol): 126.16 MDL Number: MFCD00060100 InChI Key: XGTPDIIFEPTULX-UHFFFAOYSA-N Synonym: tert-butyl propiolate,propiolic acid tert-butyl ester,t-butyl propiolate,2-propynoic acid, 1,1-dimethylethyl ester,boc-acetylene,tert-butyl propalate,tert-butyl propargylate,acmc-209chj,tert-butyl propiolate # PubChem CID: 543038 IUPAC Name: tert-butyl prop-2-ynoate SMILES: CC(C)(C)OC(=O)C#C
| PubChem CID | 543038 |
|---|---|
| CAS | 13831-03-3 |
| Molecular Weight (g/mol) | 126.16 |
| MDL Number | MFCD00060100 |
| SMILES | CC(C)(C)OC(=O)C#C |
| Synonym | tert-butyl propiolate,propiolic acid tert-butyl ester,t-butyl propiolate,2-propynoic acid, 1,1-dimethylethyl ester,boc-acetylene,tert-butyl propalate,tert-butyl propargylate,acmc-209chj,tert-butyl propiolate # |
| IUPAC Name | tert-butyl prop-2-ynoate |
| InChI Key | XGTPDIIFEPTULX-UHFFFAOYSA-N |
| Molecular Formula | C7H10O2 |
Glycerol 1,2-Carbonate, Spectrum™ Chemical
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CAS: 931-40-8
| CAS | 931-40-8 |
|---|
Dimethyl Methylphosphonate, Spectrum™ Chemical
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