Organic acids and derivatives
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Ethyl 4,5,6,7-Tetrahydroisoindole-1-carboxylate 95.0+%, TCI America™
CAS: 65880-17-3 Molecular Formula: C11H15NO2 Molecular Weight (g/mol): 193.246 MDL Number: MFCD06227773 InChI Key: NIMDFIORBNYIGB-UHFFFAOYSA-N Synonym: 4,5,6,7-Tetrahydroisoindole-1-carboxylic Acid Ethyl Ester PubChem CID: 10035498 IUPAC Name: ethyl 4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate SMILES: CCOC(=O)C1=C2CCCCC2=CN1
| PubChem CID | 10035498 |
|---|---|
| CAS | 65880-17-3 |
| Molecular Weight (g/mol) | 193.246 |
| MDL Number | MFCD06227773 |
| SMILES | CCOC(=O)C1=C2CCCCC2=CN1 |
| Synonym | 4,5,6,7-Tetrahydroisoindole-1-carboxylic Acid Ethyl Ester |
| IUPAC Name | ethyl 4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate |
| InChI Key | NIMDFIORBNYIGB-UHFFFAOYSA-N |
| Molecular Formula | C11H15NO2 |
Tetrahydro-2-pyrimidinone 97.0+%, TCI America™
CAS: 1852-17-1 Molecular Formula: C4H8N2O Molecular Weight (g/mol): 100.12 MDL Number: MFCD00014593 InChI Key: NQPJDJVGBDHCAD-UHFFFAOYSA-N PubChem CID: 74615 IUPAC Name: 1,3-diazinan-2-one SMILES: O=C1NCCCN1
| PubChem CID | 74615 |
|---|---|
| CAS | 1852-17-1 |
| Molecular Weight (g/mol) | 100.12 |
| MDL Number | MFCD00014593 |
| SMILES | O=C1NCCCN1 |
| IUPAC Name | 1,3-diazinan-2-one |
| InChI Key | NQPJDJVGBDHCAD-UHFFFAOYSA-N |
| Molecular Formula | C4H8N2O |
3-Aminophenylboronic Acid Hemisulfate, TCI America™
CAS: 66472-86-4 Molecular Formula: C12H18B2N2O8S Molecular Weight (g/mol): 371.96 MDL Number: MFCD00013111 InChI Key: UKTAURVTSWDIQR-UHFFFAOYSA-N PubChem CID: 16211139 IUPAC Name: bis((3-aminophenyl)boronic acid); sulfuric acid SMILES: OS(O)(=O)=O.NC1=CC=CC(=C1)B(O)O.NC1=CC=CC(=C1)B(O)O
| PubChem CID | 16211139 |
|---|---|
| CAS | 66472-86-4 |
| Molecular Weight (g/mol) | 371.96 |
| MDL Number | MFCD00013111 |
| SMILES | OS(O)(=O)=O.NC1=CC=CC(=C1)B(O)O.NC1=CC=CC(=C1)B(O)O |
| IUPAC Name | bis((3-aminophenyl)boronic acid); sulfuric acid |
| InChI Key | UKTAURVTSWDIQR-UHFFFAOYSA-N |
| Molecular Formula | C12H18B2N2O8S |
2-Phenylethyl Isobutyrate 98.0+%, TCI America™
CAS: 103-48-0 Molecular Formula: C12H16O2 Molecular Weight (g/mol): 192.26 MDL Number: MFCD00026441 InChI Key: JDQVBGQWADMTAM-UHFFFAOYSA-N Synonym: Isobutyric Acid 2-Phenylethyl Ester, Phenethyl Isobutyrate, Isobutyric Acid Phenethyl Ester PubChem CID: 7655 ChEBI: CHEBI:87409 IUPAC Name: 2-phenylethyl 2-methylpropanoate SMILES: CC(C)C(=O)OCCC1=CC=CC=C1
| PubChem CID | 7655 |
|---|---|
| CAS | 103-48-0 |
| Molecular Weight (g/mol) | 192.26 |
| ChEBI | CHEBI:87409 |
| MDL Number | MFCD00026441 |
| SMILES | CC(C)C(=O)OCCC1=CC=CC=C1 |
| Synonym | Isobutyric Acid 2-Phenylethyl Ester, Phenethyl Isobutyrate, Isobutyric Acid Phenethyl Ester |
| IUPAC Name | 2-phenylethyl 2-methylpropanoate |
| InChI Key | JDQVBGQWADMTAM-UHFFFAOYSA-N |
| Molecular Formula | C12H16O2 |
N-Acetylthiourea 98.0+%, TCI America™
CAS: 591-08-2 Molecular Formula: C3H6N2OS Molecular Weight (g/mol): 118.154 MDL Number: MFCD00004937 InChI Key: IPCRBOOJBPETMF-UHFFFAOYSA-N Synonym: n-acetylthiourea,acetylthiourea,1-acetylthiourea,1-acetyl-2-thiourea,acetothiourea,n-acetyl-2-thiourea,acetamide, n-aminothioxomethyl,n-acetylthiocarbamide,urea, 1-acetyl-2-thio,acetylthiocarbamide PubChem CID: 2723593 IUPAC Name: N-carbamothioylacetamide SMILES: CC(=O)NC(=S)N
| PubChem CID | 2723593 |
|---|---|
| CAS | 591-08-2 |
| Molecular Weight (g/mol) | 118.154 |
| MDL Number | MFCD00004937 |
| SMILES | CC(=O)NC(=S)N |
| Synonym | n-acetylthiourea,acetylthiourea,1-acetylthiourea,1-acetyl-2-thiourea,acetothiourea,n-acetyl-2-thiourea,acetamide, n-aminothioxomethyl,n-acetylthiocarbamide,urea, 1-acetyl-2-thio,acetylthiocarbamide |
| IUPAC Name | N-carbamothioylacetamide |
| InChI Key | IPCRBOOJBPETMF-UHFFFAOYSA-N |
| Molecular Formula | C3H6N2OS |
1,1,1,3,3,3-Hexafluoroisopropyl p-Toluenesulfonate 98.0+%, TCI America™
CAS: 67674-48-0 Molecular Formula: C10H8F6O3S Molecular Weight (g/mol): 322.22 MDL Number: MFCD00039262 InChI Key: QGSVBFAODCJVIZ-UHFFFAOYSA-N Synonym: 1,1,1,3,3,3-hexafluoroisopropyl p-toluenesulfonate,2-propanol, 1,1,1,3,3,3-hexafluoro-, 4-methylbenzenesulfonate,2-propanol, 1,1,1,3,3,3-hexafluoro-, 2-4-methylbenzenesulfonate,1,1,1,3,3,3-hexafluoroisopropyl 4-toluenesulphonate,2,2,2-trifluoro-1-trifluoromethyl ethyl toluene-p-sulphonate,hexafluoroisopropyl 4-toluenesulfonate,1,1,1,3,3,3-hexafluoroisopropyl tosylate,1,1,1,3,3,3-hexafluoroisopropyl-4-toluensesulfonate,2-propanol,1,1,3,3,3-hexafluoro-, 4-methylbenzenesulfonate,p-toluenesulfonic acid 1,1,1,3,3,3-hexafluoroisopropyl ester PubChem CID: 98916 IUPAC Name: 1,1,1,3,3,3-hexafluoropropan-2-yl 4-methylbenzene-1-sulfonate SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC(C(F)(F)F)C(F)(F)F
| PubChem CID | 98916 |
|---|---|
| CAS | 67674-48-0 |
| Molecular Weight (g/mol) | 322.22 |
| MDL Number | MFCD00039262 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC(C(F)(F)F)C(F)(F)F |
| Synonym | 1,1,1,3,3,3-hexafluoroisopropyl p-toluenesulfonate,2-propanol, 1,1,1,3,3,3-hexafluoro-, 4-methylbenzenesulfonate,2-propanol, 1,1,1,3,3,3-hexafluoro-, 2-4-methylbenzenesulfonate,1,1,1,3,3,3-hexafluoroisopropyl 4-toluenesulphonate,2,2,2-trifluoro-1-trifluoromethyl ethyl toluene-p-sulphonate,hexafluoroisopropyl 4-toluenesulfonate,1,1,1,3,3,3-hexafluoroisopropyl tosylate,1,1,1,3,3,3-hexafluoroisopropyl-4-toluensesulfonate,2-propanol,1,1,3,3,3-hexafluoro-, 4-methylbenzenesulfonate,p-toluenesulfonic acid 1,1,1,3,3,3-hexafluoroisopropyl ester |
| IUPAC Name | 1,1,1,3,3,3-hexafluoropropan-2-yl 4-methylbenzene-1-sulfonate |
| InChI Key | QGSVBFAODCJVIZ-UHFFFAOYSA-N |
| Molecular Formula | C10H8F6O3S |
Isobutyl Formate 95.0+%, TCI America™
CAS: 542-55-2 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.133 MDL Number: MFCD00003293 InChI Key: AVMSWPWPYJVYKY-UHFFFAOYSA-N Synonym: isobutyl formate,isobutyl methanoate,tetryl formate,formic acid, 2-methylpropyl ester,iso-butyl formate,formic acid, isobutyl ester,isobutyl methanote,2-methyl-1-propyl formate,isobutyl formate natural,isobutylester kyseliny mravenci PubChem CID: 10957 IUPAC Name: 2-methylpropyl formate SMILES: CC(C)COC=O
| PubChem CID | 10957 |
|---|---|
| CAS | 542-55-2 |
| Molecular Weight (g/mol) | 102.133 |
| MDL Number | MFCD00003293 |
| SMILES | CC(C)COC=O |
| Synonym | isobutyl formate,isobutyl methanoate,tetryl formate,formic acid, 2-methylpropyl ester,iso-butyl formate,formic acid, isobutyl ester,isobutyl methanote,2-methyl-1-propyl formate,isobutyl formate natural,isobutylester kyseliny mravenci |
| IUPAC Name | 2-methylpropyl formate |
| InChI Key | AVMSWPWPYJVYKY-UHFFFAOYSA-N |
| Molecular Formula | C5H10O2 |
Dibutyl L-(+)-Tartrate 98.0+%, TCI America™
CAS: 87-92-3 Molecular Formula: C12H22O6 Molecular Weight (g/mol): 262.302 MDL Number: MFCD00009443 InChI Key: PCYQQSKDZQTOQG-NXEZZACHSA-N Synonym: 2r,3r-dibutyl 2,3-dihydroxysuccinate,dibutyl l-+-tartrate,dibutyl l-tartrate,unii-2d1v32if1e,dibutyl tartrate, +,l-+-tartaric acid di-n-butyl ester,dibutyl 2r,3r-2,3-dihydroxybutanedioate,butanedioic acid, 2,3-dihydroxy-2r,3r-, dibutyl ester,1,4-dibutyl 2r,3r-2,3-dihydroxybutanedioate,dibutyll-+-tartrate PubChem CID: 6910 IUPAC Name: dibutyl (2R,3R)-2,3-dihydroxybutanedioate SMILES: CCCCOC(=O)C(C(C(=O)OCCCC)O)O
| PubChem CID | 6910 |
|---|---|
| CAS | 87-92-3 |
| Molecular Weight (g/mol) | 262.302 |
| MDL Number | MFCD00009443 |
| SMILES | CCCCOC(=O)C(C(C(=O)OCCCC)O)O |
| Synonym | 2r,3r-dibutyl 2,3-dihydroxysuccinate,dibutyl l-+-tartrate,dibutyl l-tartrate,unii-2d1v32if1e,dibutyl tartrate, +,l-+-tartaric acid di-n-butyl ester,dibutyl 2r,3r-2,3-dihydroxybutanedioate,butanedioic acid, 2,3-dihydroxy-2r,3r-, dibutyl ester,1,4-dibutyl 2r,3r-2,3-dihydroxybutanedioate,dibutyll-+-tartrate |
| IUPAC Name | dibutyl (2R,3R)-2,3-dihydroxybutanedioate |
| InChI Key | PCYQQSKDZQTOQG-NXEZZACHSA-N |
| Molecular Formula | C12H22O6 |
4-Butoxyphenylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 105365-51-3 Molecular Formula: C10H15BO3 MDL Number: MFCD03427054 InChI Key: QUPFQMXWFNJUNJ-UHFFFAOYSA-N PubChem CID: 3836310 IUPAC Name: (4-butoxyphenyl)boronic acid
| PubChem CID | 3836310 |
|---|---|
| CAS | 105365-51-3 |
| MDL Number | MFCD03427054 |
| IUPAC Name | (4-butoxyphenyl)boronic acid |
| InChI Key | QUPFQMXWFNJUNJ-UHFFFAOYSA-N |
| Molecular Formula | C10H15BO3 |
Diphenylammonium Trifluoromethanesulfonate 98.0+%, TCI America™
CAS: 164411-06-7 Molecular Formula: C13H12F3NO3S Molecular Weight (g/mol): 319.298 InChI Key: MGEGQAUINMTPGX-UHFFFAOYSA-N Synonym: DPAT PubChem CID: 11209371 IUPAC Name: diphenylazanium;trifluoromethanesulfonate SMILES: C1=CC=C(C=C1)[NH2+]C2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]
| PubChem CID | 11209371 |
|---|---|
| CAS | 164411-06-7 |
| Molecular Weight (g/mol) | 319.298 |
| SMILES | C1=CC=C(C=C1)[NH2+]C2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-] |
| Synonym | DPAT |
| IUPAC Name | diphenylazanium;trifluoromethanesulfonate |
| InChI Key | MGEGQAUINMTPGX-UHFFFAOYSA-N |
| Molecular Formula | C13H12F3NO3S |
Methyl 2-Methoxyphenylacetate 98.0+%, TCI America™
CAS: 27798-60-3 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.20 MDL Number: MFCD02093479 InChI Key: BNQRSYFOIRGRKV-UHFFFAOYSA-N Synonym: 2-Methoxyphenylacetic Acid Methyl Ester PubChem CID: 99590 IUPAC Name: methyl 2-(2-methoxyphenyl)acetate SMILES: COC(=O)CC1=CC=CC=C1OC
| PubChem CID | 99590 |
|---|---|
| CAS | 27798-60-3 |
| Molecular Weight (g/mol) | 180.20 |
| MDL Number | MFCD02093479 |
| SMILES | COC(=O)CC1=CC=CC=C1OC |
| Synonym | 2-Methoxyphenylacetic Acid Methyl Ester |
| IUPAC Name | methyl 2-(2-methoxyphenyl)acetate |
| InChI Key | BNQRSYFOIRGRKV-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
2,2,3,3-Tetrafluoropropyl Acrylate (stabilized with MEHQ) 98.0+%, TCI America™
CAS: 7383-71-3 Molecular Formula: C6H6F4O2 Molecular Weight (g/mol): 186.11 MDL Number: MFCD00042380 InChI Key: VHJHZYSXJKREEE-UHFFFAOYSA-N Synonym: Acrylic Acid 2,2,3,3-Tetrafluoropropyl Ester PubChem CID: 81865 IUPAC Name: 2,2,3,3-tetrafluoropropyl prop-2-enoate SMILES: FC(F)C(F)(F)COC(=O)C=C
| PubChem CID | 81865 |
|---|---|
| CAS | 7383-71-3 |
| Molecular Weight (g/mol) | 186.11 |
| MDL Number | MFCD00042380 |
| SMILES | FC(F)C(F)(F)COC(=O)C=C |
| Synonym | Acrylic Acid 2,2,3,3-Tetrafluoropropyl Ester |
| IUPAC Name | 2,2,3,3-tetrafluoropropyl prop-2-enoate |
| InChI Key | VHJHZYSXJKREEE-UHFFFAOYSA-N |
| Molecular Formula | C6H6F4O2 |
Methyl Bromodifluoroacetate 97.0+%, TCI America™
CAS: 683-98-7 Molecular Formula: C3H3BrF2O2 Molecular Weight (g/mol): 188.96 MDL Number: MFCD06248118 InChI Key: IOBCLXSGWMFVQJ-UHFFFAOYSA-N Synonym: Bromodifluoroacetic Acid Methyl Ester PubChem CID: 2783339 IUPAC Name: methyl 2-bromo-2,2-difluoroacetate SMILES: COC(=O)C(F)(F)Br
| PubChem CID | 2783339 |
|---|---|
| CAS | 683-98-7 |
| Molecular Weight (g/mol) | 188.96 |
| MDL Number | MFCD06248118 |
| SMILES | COC(=O)C(F)(F)Br |
| Synonym | Bromodifluoroacetic Acid Methyl Ester |
| IUPAC Name | methyl 2-bromo-2,2-difluoroacetate |
| InChI Key | IOBCLXSGWMFVQJ-UHFFFAOYSA-N |
| Molecular Formula | C3H3BrF2O2 |
Stigmasterol 90.0+%, TCI America™
CAS: 83-48-7 Molecular Formula: C29H48O Molecular Weight (g/mol): 412.70 MDL Number: MFCD00003630 InChI Key: HCXVJBMSMIARIN-PHZDYDNGSA-N Synonym: stigmasterol,stigmasterin,beta-stigmasterol,stigmasta-5,22-dien-3beta-ol,24s-5,22-stigmastadien-3beta-ol,unii-99wuk5d0y8,stigmasta-5,22e-dien-3beta-ol,stigmasta-5,22-dien-3-beta-ol,3beta,22e-stigmasta-5,22-dien-3-ol,stigmasta-5,22-dien-3-ol, 3b,22e PubChem CID: 5280794 ChEBI: CHEBI:28824 IUPAC Name: (1R,3aS,3bS,7S,9aR,9bS,11aR)-1-[(2R,3E,5S)-5-ethyl-6-methylhept-3-en-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol SMILES: CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
| PubChem CID | 5280794 |
|---|---|
| CAS | 83-48-7 |
| Molecular Weight (g/mol) | 412.70 |
| ChEBI | CHEBI:28824 |
| MDL Number | MFCD00003630 |
| SMILES | CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C |
| Synonym | stigmasterol,stigmasterin,beta-stigmasterol,stigmasta-5,22-dien-3beta-ol,24s-5,22-stigmastadien-3beta-ol,unii-99wuk5d0y8,stigmasta-5,22e-dien-3beta-ol,stigmasta-5,22-dien-3-beta-ol,3beta,22e-stigmasta-5,22-dien-3-ol,stigmasta-5,22-dien-3-ol, 3b,22e |
| IUPAC Name | (1R,3aS,3bS,7S,9aR,9bS,11aR)-1-[(2R,3E,5S)-5-ethyl-6-methylhept-3-en-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol |
| InChI Key | HCXVJBMSMIARIN-PHZDYDNGSA-N |
| Molecular Formula | C29H48O |
2-Chloronicotinamide 98.0+%, TCI America™
CAS: 10366-35-5 Molecular Formula: C6H5ClN2O Molecular Weight (g/mol): 156.569 MDL Number: MFCD00006237 InChI Key: ZQZAHPFFZWEUCL-UHFFFAOYSA-N Synonym: 2-chloronicotinamide,3-pyridinecarboxamide, 2-chloro,chloronicotinamide,2-chloro-nicotinamide,acmc-1bvtu,nicotinamide, 2-chloro,2-chloronicotinic acid amide,ksc492e7f,2-chloro-3-pyridinecarboxamide PubChem CID: 82588 IUPAC Name: 2-chloropyridine-3-carboxamide SMILES: C1=CC(=C(N=C1)Cl)C(=O)N
| PubChem CID | 82588 |
|---|---|
| CAS | 10366-35-5 |
| Molecular Weight (g/mol) | 156.569 |
| MDL Number | MFCD00006237 |
| SMILES | C1=CC(=C(N=C1)Cl)C(=O)N |
| Synonym | 2-chloronicotinamide,3-pyridinecarboxamide, 2-chloro,chloronicotinamide,2-chloro-nicotinamide,acmc-1bvtu,nicotinamide, 2-chloro,2-chloronicotinic acid amide,ksc492e7f,2-chloro-3-pyridinecarboxamide |
| IUPAC Name | 2-chloropyridine-3-carboxamide |
| InChI Key | ZQZAHPFFZWEUCL-UHFFFAOYSA-N |
| Molecular Formula | C6H5ClN2O |