Organic compounds
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Ethyl Pyrazole-3-carboxylate 98.0+%, TCI America™
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CAS: 5932-27-4 Molecular Formula: C6H8N2O2 Molecular Weight (g/mol): 140.142 MDL Number: MFCD00159643 InChI Key: MSPOSRHJXMILNK-UHFFFAOYSA-N Synonym: Pyrazole-3-carboxylic Acid Ethyl Ester PubChem CID: 7147518 IUPAC Name: ethyl 1H-pyrazole-5-carboxylate SMILES: CCOC(=O)C1=CC=NN1
| PubChem CID | 7147518 |
|---|---|
| CAS | 5932-27-4 |
| Molecular Weight (g/mol) | 140.142 |
| MDL Number | MFCD00159643 |
| SMILES | CCOC(=O)C1=CC=NN1 |
| Synonym | Pyrazole-3-carboxylic Acid Ethyl Ester |
| IUPAC Name | ethyl 1H-pyrazole-5-carboxylate |
| InChI Key | MSPOSRHJXMILNK-UHFFFAOYSA-N |
| Molecular Formula | C6H8N2O2 |
1-Bromo-4-(trimethylsilyl)benzene 97.0+%, TCI America™
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CAS: 6999-03-7 Molecular Formula: C9H13BrSi Molecular Weight (g/mol): 229.19 MDL Number: MFCD00094165 InChI Key: UKTSSJJZFVGTCG-UHFFFAOYSA-N Synonym: (4-Bromophenyl)trimethylsilane PubChem CID: 138897 IUPAC Name: (4-bromophenyl)-trimethylsilane SMILES: C[Si](C)(C)C1=CC=C(C=C1)Br
| PubChem CID | 138897 |
|---|---|
| CAS | 6999-03-7 |
| Molecular Weight (g/mol) | 229.19 |
| MDL Number | MFCD00094165 |
| SMILES | C[Si](C)(C)C1=CC=C(C=C1)Br |
| Synonym | (4-Bromophenyl)trimethylsilane |
| IUPAC Name | (4-bromophenyl)-trimethylsilane |
| InChI Key | UKTSSJJZFVGTCG-UHFFFAOYSA-N |
| Molecular Formula | C9H13BrSi |
Dess-Martin Periodinane 95.0+%, TCI America™
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CAS: 87413-09-0 Molecular Formula: C13H13IO8 Molecular Weight (g/mol): 424.14 MDL Number: MFCD00130127 InChI Key: NKLCNNUWBJBICK-UHFFFAOYSA-N Synonym: dess-martin periodinane,triacetoxyperiodinane,1,1,1-triacetoxy-1,1-dihydro-1,2-benziodoxol-3 1h-one,dess-martin reagent,dess-martinperiodinane,dess-martin,dess martin periodinane,dess martin,dess-martin periodane PubChem CID: 159087 IUPAC Name: 1,1-bis(acetyloxy)-3-oxo-3H-1λ⁵,2-benziodaoxol-1-yl acetate SMILES: CC(=O)O[I]1(OC(C)=O)(OC(C)=O)OC(=O)C2=CC=CC=C12
| PubChem CID | 159087 |
|---|---|
| CAS | 87413-09-0 |
| Molecular Weight (g/mol) | 424.14 |
| MDL Number | MFCD00130127 |
| SMILES | CC(=O)O[I]1(OC(C)=O)(OC(C)=O)OC(=O)C2=CC=CC=C12 |
| Synonym | dess-martin periodinane,triacetoxyperiodinane,1,1,1-triacetoxy-1,1-dihydro-1,2-benziodoxol-3 1h-one,dess-martin reagent,dess-martinperiodinane,dess-martin,dess martin periodinane,dess martin,dess-martin periodane |
| IUPAC Name | 1,1-bis(acetyloxy)-3-oxo-3H-1λ⁵,2-benziodaoxol-1-yl acetate |
| InChI Key | NKLCNNUWBJBICK-UHFFFAOYSA-N |
| Molecular Formula | C13H13IO8 |
4-Chlorophenyl Benzoate 99.0+%, TCI America™
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CAS: 8-5-2005 Molecular Formula: C13H9ClO2 Molecular Weight (g/mol): 232.66 MDL Number: MFCD00040854 InChI Key: JKSIXXOEIXUYFW-UHFFFAOYSA-N Synonym: benzoic acid, 4-chlorophenyl ester,p-chlorophenol benzoate,p-chlorophenyl benzoate,benzoic acid 4-chlorophenyl ester,benzoic acid, p-chlorophenyl ester,4-chlorophenylbenzoate,acmc-1cina,cbmicro_005244,4-chlorophenyl benzoate PubChem CID: 347761 IUPAC Name: (4-chlorophenyl) benzoate SMILES: C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)Cl
| PubChem CID | 347761 |
|---|---|
| CAS | 8-5-2005 |
| Molecular Weight (g/mol) | 232.66 |
| MDL Number | MFCD00040854 |
| SMILES | C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)Cl |
| Synonym | benzoic acid, 4-chlorophenyl ester,p-chlorophenol benzoate,p-chlorophenyl benzoate,benzoic acid 4-chlorophenyl ester,benzoic acid, p-chlorophenyl ester,4-chlorophenylbenzoate,acmc-1cina,cbmicro_005244,4-chlorophenyl benzoate |
| IUPAC Name | (4-chlorophenyl) benzoate |
| InChI Key | JKSIXXOEIXUYFW-UHFFFAOYSA-N |
| Molecular Formula | C13H9ClO2 |
1,6-Diaminopyrene 98.0+%, TCI America™
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CAS: 14923-84-3 Molecular Formula: C16H12N2 Molecular Weight (g/mol): 232.29 MDL Number: MFCD00142568 InChI Key: OWJJRQSAIMYXQJ-UHFFFAOYSA-N PubChem CID: 146178 IUPAC Name: pyrene-1,6-diamine SMILES: NC1=CC=C2C=CC3=C(N)C=CC4=CC=C1C2=C34
| PubChem CID | 146178 |
|---|---|
| CAS | 14923-84-3 |
| Molecular Weight (g/mol) | 232.29 |
| MDL Number | MFCD00142568 |
| SMILES | NC1=CC=C2C=CC3=C(N)C=CC4=CC=C1C2=C34 |
| IUPAC Name | pyrene-1,6-diamine |
| InChI Key | OWJJRQSAIMYXQJ-UHFFFAOYSA-N |
| Molecular Formula | C16H12N2 |
4-Biphenylyl(2,4,6-trimethoxyphenyl)iodonium Trifluoromethanesulfonate 95.0+%, TCI America™
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CAS: 1868173-47-0 Molecular Formula: C22H20F3IO6S Synonym: 4-Biphenylyl(2,4,6-trimethoxyphenyl)iodonium Triflate, [1,1′-Biphenyl]-4-yl(2,4,6-trimethoxyphenyl)iodonium Trifluoromethanesulfonate
| CAS | 1868173-47-0 |
|---|---|
| Synonym | 4-Biphenylyl(2,4,6-trimethoxyphenyl)iodonium Triflate, [1,1′-Biphenyl]-4-yl(2,4,6-trimethoxyphenyl)iodonium Trifluoromethanesulfonate |
| Molecular Formula | C22H20F3IO6S |
1,7-Dibromoheptane 98.0+%, TCI America™
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CAS: 4549-31-9 Molecular Formula: C7H14Br2 Molecular Weight (g/mol): 258.00 MDL Number: MFCD00000274 InChI Key: LVWSZGCVEZRFBT-UHFFFAOYSA-N Synonym: heptane, 1,7-dibromo,heptamethylene dibromide,heptane,7-dibromo,1,7-dibromo-heptane,pubchem3887,dibromo-1,7 heptane,acmc-209k2q,1,7-dibromoheptane,ksc236m7h,lvwszgcvezrfbt-uhfffaoysa PubChem CID: 78309 IUPAC Name: 1,7-dibromoheptane SMILES: BrCCCCCCCBr
| PubChem CID | 78309 |
|---|---|
| CAS | 4549-31-9 |
| Molecular Weight (g/mol) | 258.00 |
| MDL Number | MFCD00000274 |
| SMILES | BrCCCCCCCBr |
| Synonym | heptane, 1,7-dibromo,heptamethylene dibromide,heptane,7-dibromo,1,7-dibromo-heptane,pubchem3887,dibromo-1,7 heptane,acmc-209k2q,1,7-dibromoheptane,ksc236m7h,lvwszgcvezrfbt-uhfffaoysa |
| IUPAC Name | 1,7-dibromoheptane |
| InChI Key | LVWSZGCVEZRFBT-UHFFFAOYSA-N |
| Molecular Formula | C7H14Br2 |
4',7-Dimethoxyisoflavone 97.0+%, TCI America™
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CAS: 1157-39-7 Molecular Formula: C17H14O4 Molecular Weight (g/mol): 282.295 MDL Number: MFCD00075889 InChI Key: LPNBCGIVZXHHHO-UHFFFAOYSA-N Synonym: 4',7-dimethoxyisoflavone,7,4'-dimethoxyisoflavone,7-methoxy-3-4-methoxyphenyl-4h-chromen-4-one,7,4'-di-o-methyldaidzein,unii-f5547dw3co,7-methoxy-3-4-methoxyphenyl chromen-4-one,daidzein dimethyl ether,spectrum_000697,specplus_000113,spectrum2_000185 PubChem CID: 136419 IUPAC Name: 7-methoxy-3-(4-methoxyphenyl)chromen-4-one SMILES: COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC
| PubChem CID | 136419 |
|---|---|
| CAS | 1157-39-7 |
| Molecular Weight (g/mol) | 282.295 |
| MDL Number | MFCD00075889 |
| SMILES | COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC |
| Synonym | 4',7-dimethoxyisoflavone,7,4'-dimethoxyisoflavone,7-methoxy-3-4-methoxyphenyl-4h-chromen-4-one,7,4'-di-o-methyldaidzein,unii-f5547dw3co,7-methoxy-3-4-methoxyphenyl chromen-4-one,daidzein dimethyl ether,spectrum_000697,specplus_000113,spectrum2_000185 |
| IUPAC Name | 7-methoxy-3-(4-methoxyphenyl)chromen-4-one |
| InChI Key | LPNBCGIVZXHHHO-UHFFFAOYSA-N |
| Molecular Formula | C17H14O4 |
Polyethylene Glycol Monostearate (n=approx. 55) (palmitate and stearate mixture), TCI America™
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CAS: 9004-99-3 Molecular Formula: C20H40O3 Molecular Weight (g/mol): 328.537 MDL Number: MFCD00148007 InChI Key: RFVNOJDQRGSOEL-UHFFFAOYSA-N PubChem CID: 24762 IUPAC Name: 2-hydroxyethyl octadecanoate SMILES: CCCCCCCCCCCCCCCCCC(=O)OCCO
| PubChem CID | 24762 |
|---|---|
| CAS | 9004-99-3 |
| Molecular Weight (g/mol) | 328.537 |
| MDL Number | MFCD00148007 |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCCO |
| IUPAC Name | 2-hydroxyethyl octadecanoate |
| InChI Key | RFVNOJDQRGSOEL-UHFFFAOYSA-N |
| Molecular Formula | C20H40O3 |
(3R,4R)-1-Benzyl-4-hydroxy-3-pyrrolidinemethanol 96.0+%, TCI America™
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CAS: 253129-03-2 Molecular Formula: C12H17NO2 Molecular Weight (g/mol): 207.273 InChI Key: XQYUBSUGHRDQSN-NEPJUHHUSA-N PubChem CID: 11579361 IUPAC Name: (3R,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-ol SMILES: C1C(C(CN1CC2=CC=CC=C2)O)CO
| PubChem CID | 11579361 |
|---|---|
| CAS | 253129-03-2 |
| Molecular Weight (g/mol) | 207.273 |
| SMILES | C1C(C(CN1CC2=CC=CC=C2)O)CO |
| IUPAC Name | (3R,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-ol |
| InChI Key | XQYUBSUGHRDQSN-NEPJUHHUSA-N |
| Molecular Formula | C12H17NO2 |
4-Amino-6-hydroxypyrimidine 98.0+%, TCI America™
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CAS: 1193-22-2 Molecular Formula: C4H5N3O Molecular Weight (g/mol): 111.10 MDL Number: MFCD00051502 InChI Key: HFMLLTVIMFEQRE-UHFFFAOYSA-N Synonym: 4-amino-6-hydroxypyrimidine,6-aminopyrimidin-4-ol,4-hydroxy-6-aminopyrimidine,4-pyrimidinol, 6-amino,4 1h-pyrimidinone, 6-amino,6-aminopyrimidin-4 3h-one,4-oxy-6-aminopyrimidine,6-amino-4-pyrimidinol,6-amino-3h-pyrimidin-4-one,6-amino-4 1h-pyrimidinone PubChem CID: 70944 IUPAC Name: 6-amino-1,4-dihydropyrimidin-4-one SMILES: NC1=CC(=O)N=CN1
| PubChem CID | 70944 |
|---|---|
| CAS | 1193-22-2 |
| Molecular Weight (g/mol) | 111.10 |
| MDL Number | MFCD00051502 |
| SMILES | NC1=CC(=O)N=CN1 |
| Synonym | 4-amino-6-hydroxypyrimidine,6-aminopyrimidin-4-ol,4-hydroxy-6-aminopyrimidine,4-pyrimidinol, 6-amino,4 1h-pyrimidinone, 6-amino,6-aminopyrimidin-4 3h-one,4-oxy-6-aminopyrimidine,6-amino-4-pyrimidinol,6-amino-3h-pyrimidin-4-one,6-amino-4 1h-pyrimidinone |
| IUPAC Name | 6-amino-1,4-dihydropyrimidin-4-one |
| InChI Key | HFMLLTVIMFEQRE-UHFFFAOYSA-N |
| Molecular Formula | C4H5N3O |
3,3',5,5'-Tetramethylbenzidine 98.0+%, TCI America™
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CAS: 54827-17-7 Molecular Formula: C16H20N2 Molecular Weight (g/mol): 240.35 MDL Number: MFCD00007748 InChI Key: UAIUNKRWKOVEES-UHFFFAOYSA-N Synonym: 3,3',5,5'-tetramethylbenzidine,3,3',5,5'-tetramethyl-1,1'-biphenyl-4,4'-diamine,3,5,3',5'-tetramethylbenzidine,tmb,3,3',5,5'-tetramethyl benzidine,tmb substrate,bm blue,ccris 4727,tmb plus,tmb, insoluble PubChem CID: 41206 IUPAC Name: 4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline SMILES: CC1=CC(=CC(=C1N)C)C2=CC(=C(C(=C2)C)N)C
| PubChem CID | 41206 |
|---|---|
| CAS | 54827-17-7 |
| Molecular Weight (g/mol) | 240.35 |
| MDL Number | MFCD00007748 |
| SMILES | CC1=CC(=CC(=C1N)C)C2=CC(=C(C(=C2)C)N)C |
| Synonym | 3,3',5,5'-tetramethylbenzidine,3,3',5,5'-tetramethyl-1,1'-biphenyl-4,4'-diamine,3,5,3',5'-tetramethylbenzidine,tmb,3,3',5,5'-tetramethyl benzidine,tmb substrate,bm blue,ccris 4727,tmb plus,tmb, insoluble |
| IUPAC Name | 4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline |
| InChI Key | UAIUNKRWKOVEES-UHFFFAOYSA-N |
| Molecular Formula | C16H20N2 |
3-Methyl-1-phenyl-2-butanone 98.0+%, TCI America™
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CAS: 2893-05-2 Molecular Formula: C11H14O Molecular Weight (g/mol): 162.23 MDL Number: MFCD00040487 InChI Key: ZATIMOAGKJEVGN-UHFFFAOYSA-N Synonym: 3-methyl-1-phenyl-2-butanone,benzyl isopropyl ketone,isopropylbenzyl ketone,2-butanone, 3-methyl-1-phenyl,1-phenyl-3-methyl-2-butanone,unii-81804s3mkm,isopropyl benzyl ketone,isopropylbenzylketon,5-nitrophenyl laurate,2-methyl-4-phenyl-3-butanone PubChem CID: 76163 IUPAC Name: 3-methyl-1-phenylbutan-2-one SMILES: CC(C)C(=O)CC1=CC=CC=C1
| PubChem CID | 76163 |
|---|---|
| CAS | 2893-05-2 |
| Molecular Weight (g/mol) | 162.23 |
| MDL Number | MFCD00040487 |
| SMILES | CC(C)C(=O)CC1=CC=CC=C1 |
| Synonym | 3-methyl-1-phenyl-2-butanone,benzyl isopropyl ketone,isopropylbenzyl ketone,2-butanone, 3-methyl-1-phenyl,1-phenyl-3-methyl-2-butanone,unii-81804s3mkm,isopropyl benzyl ketone,isopropylbenzylketon,5-nitrophenyl laurate,2-methyl-4-phenyl-3-butanone |
| IUPAC Name | 3-methyl-1-phenylbutan-2-one |
| InChI Key | ZATIMOAGKJEVGN-UHFFFAOYSA-N |
| Molecular Formula | C11H14O |
Amyl Acetoacetate 98.0+%, TCI America™
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CAS: 6624-84-6 Molecular Formula: C9H16O3 Molecular Weight (g/mol): 172.22 MDL Number: MFCD00059433 InChI Key: IDZAUPYMMSSVHP-UHFFFAOYSA-N Synonym: Acetoacetic Acid Pentyl Ester, Acetoacetic Acid Amyl Ester, Pentyl Acetoacetate PubChem CID: 138786 IUPAC Name: pentyl 3-oxobutanoate SMILES: CCCCCOC(=O)CC(C)=O
| PubChem CID | 138786 |
|---|---|
| CAS | 6624-84-6 |
| Molecular Weight (g/mol) | 172.22 |
| MDL Number | MFCD00059433 |
| SMILES | CCCCCOC(=O)CC(C)=O |
| Synonym | Acetoacetic Acid Pentyl Ester, Acetoacetic Acid Amyl Ester, Pentyl Acetoacetate |
| IUPAC Name | pentyl 3-oxobutanoate |
| InChI Key | IDZAUPYMMSSVHP-UHFFFAOYSA-N |
| Molecular Formula | C9H16O3 |
Guanfacine Hydrochloride 98.0+%, TCI America™
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CAS: 29110-48-3 Molecular Formula: C9H10Cl3N3O Molecular Weight (g/mol): 282.549 MDL Number: MFCD00798230 InChI Key: DGFYECXYGUIODH-UHFFFAOYSA-N Synonym: guanfacine hydrochloride,guanfacine hcl,tenex,estulic,intuniv,n-carbamimidoyl-2-2,6-dichlorophenyl acetamide hydrochloride,guanfacin hydrochloride,connexyn,n-amidino-2-2,6-dichlorophenyl acetamide hydrochloride PubChem CID: 71401 IUPAC Name: N-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide;hydrochloride SMILES: C1=CC(=C(C(=C1)Cl)CC(=O)N=C(N)N)Cl.Cl
| PubChem CID | 71401 |
|---|---|
| CAS | 29110-48-3 |
| Molecular Weight (g/mol) | 282.549 |
| MDL Number | MFCD00798230 |
| SMILES | C1=CC(=C(C(=C1)Cl)CC(=O)N=C(N)N)Cl.Cl |
| Synonym | guanfacine hydrochloride,guanfacine hcl,tenex,estulic,intuniv,n-carbamimidoyl-2-2,6-dichlorophenyl acetamide hydrochloride,guanfacin hydrochloride,connexyn,n-amidino-2-2,6-dichlorophenyl acetamide hydrochloride |
| IUPAC Name | N-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide;hydrochloride |
| InChI Key | DGFYECXYGUIODH-UHFFFAOYSA-N |
| Molecular Formula | C9H10Cl3N3O |