Organooxygen compounds
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6-Methylpyridine-3-carboxaldehyde, 96%
CAS: 53014-84-9 Molecular Formula: C7H7NO Molecular Weight (g/mol): 121.14 MDL Number: MFCD08272279 InChI Key: IMWMEIWYPWVABQ-UHFFFAOYSA-N Synonym: 6-methylnicotinaldehyde,2-methyl-5-formylpyridine,6-methyl-pyridine-3-carbaldehyde,3-formyl-6-methyl-pyridine,5-formyl-2-methylpyridine,5-formyl-2-picoline,6-methylpyridine-3-carboxaldehyde,3-pyridinecarboxaldehyde, 6-methyl,3-formyl-6-methylpyridine,6-methylpyridyl-3-carboxaldehyde PubChem CID: 10192566 IUPAC Name: 6-methylpyridine-3-carbaldehyde SMILES: CC1=NC=C(C=O)C=C1
| PubChem CID | 10192566 |
|---|---|
| CAS | 53014-84-9 |
| Molecular Weight (g/mol) | 121.14 |
| MDL Number | MFCD08272279 |
| SMILES | CC1=NC=C(C=O)C=C1 |
| Synonym | 6-methylnicotinaldehyde,2-methyl-5-formylpyridine,6-methyl-pyridine-3-carbaldehyde,3-formyl-6-methyl-pyridine,5-formyl-2-methylpyridine,5-formyl-2-picoline,6-methylpyridine-3-carboxaldehyde,3-pyridinecarboxaldehyde, 6-methyl,3-formyl-6-methylpyridine,6-methylpyridyl-3-carboxaldehyde |
| IUPAC Name | 6-methylpyridine-3-carbaldehyde |
| InChI Key | IMWMEIWYPWVABQ-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO |
2-Hydroxymethyl-18-crown-6, 97%
CAS: 70069-04-4 Molecular Formula: C13H26O7 Molecular Weight (g/mol): 294.34 MDL Number: MFCD00188046 InChI Key: HFRGASADQCZXHH-UHFFFAOYNA-N Synonym: 1,4,7,10,13,16-hexaoxacyclooctadecane-2-methanol,2-hydroxymethyl-18-crown-6,2-hydroxymethyl-18-crown 6-ether,1,4,7,10,13,16-hexaoxacyclooctadecan-2-ylmethanol,hydroxy-18-crown-6,18-crown-6-methanol,hydroxymethyl-18-crown-6,hfrgasadqczxhh-uhfffaoysa,2-hydroxymethyl-18-crown,2,5,8,11,14,17-hexaoxacyclooctadecyl methan-1-ol PubChem CID: 3611393 IUPAC Name: 1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanol SMILES: OCC1COCCOCCOCCOCCOCCO1
| PubChem CID | 3611393 |
|---|---|
| CAS | 70069-04-4 |
| Molecular Weight (g/mol) | 294.34 |
| MDL Number | MFCD00188046 |
| SMILES | OCC1COCCOCCOCCOCCOCCO1 |
| Synonym | 1,4,7,10,13,16-hexaoxacyclooctadecane-2-methanol,2-hydroxymethyl-18-crown-6,2-hydroxymethyl-18-crown 6-ether,1,4,7,10,13,16-hexaoxacyclooctadecan-2-ylmethanol,hydroxy-18-crown-6,18-crown-6-methanol,hydroxymethyl-18-crown-6,hfrgasadqczxhh-uhfffaoysa,2-hydroxymethyl-18-crown,2,5,8,11,14,17-hexaoxacyclooctadecyl methan-1-ol |
| IUPAC Name | 1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanol |
| InChI Key | HFRGASADQCZXHH-UHFFFAOYNA-N |
| Molecular Formula | C13H26O7 |
2-Amino-5-methylpyridine-3-carboxaldehyde, 95%
CAS: 1023814-35-8 Molecular Formula: C7H8N2O Molecular Weight (g/mol): 136.154 MDL Number: MFCD09754122 InChI Key: KHLBBDOMXLJWGR-UHFFFAOYSA-N Synonym: 2-amino-5-methylnicotinaldehyde,2-amino-5-methylpyridine-3-carboxaldehyde PubChem CID: 32639818 IUPAC Name: 2-amino-5-methylpyridine-3-carbaldehyde SMILES: CC1=CN=C(C(=C1)C=O)N
| PubChem CID | 32639818 |
|---|---|
| CAS | 1023814-35-8 |
| Molecular Weight (g/mol) | 136.154 |
| MDL Number | MFCD09754122 |
| SMILES | CC1=CN=C(C(=C1)C=O)N |
| Synonym | 2-amino-5-methylnicotinaldehyde,2-amino-5-methylpyridine-3-carboxaldehyde |
| IUPAC Name | 2-amino-5-methylpyridine-3-carbaldehyde |
| InChI Key | KHLBBDOMXLJWGR-UHFFFAOYSA-N |
| Molecular Formula | C7H8N2O |
Tetramethyl orthocarbonate, 95%
CAS: 1850-14-2 Molecular Formula: C5H12O4 Molecular Weight (g/mol): 136.147 MDL Number: MFCD00008473 InChI Key: AHJWSRRHTXRLAQ-UHFFFAOYSA-N Synonym: tetramethyl orthocarbonate,methane, tetramethoxy,orthocarbonic acid tetramethyl ester,tetramethoxy-methane,tetramethylorthocarbonate,acmc-209emf,tetramethyl ortho carbonate,tetramethyl orthocarbonate, purum gc PubChem CID: 74613 IUPAC Name: tetramethoxymethane SMILES: COC(OC)(OC)OC
| PubChem CID | 74613 |
|---|---|
| CAS | 1850-14-2 |
| Molecular Weight (g/mol) | 136.147 |
| MDL Number | MFCD00008473 |
| SMILES | COC(OC)(OC)OC |
| Synonym | tetramethyl orthocarbonate,methane, tetramethoxy,orthocarbonic acid tetramethyl ester,tetramethoxy-methane,tetramethylorthocarbonate,acmc-209emf,tetramethyl ortho carbonate,tetramethyl orthocarbonate, purum gc |
| IUPAC Name | tetramethoxymethane |
| InChI Key | AHJWSRRHTXRLAQ-UHFFFAOYSA-N |
| Molecular Formula | C5H12O4 |
Amiodarone hydrochloride
CAS: 19774-82-4 Molecular Formula: C25H30ClI2NO3 Molecular Weight (g/mol): 681.778 MDL Number: MFCD00069204 InChI Key: ITPDYQOUSLNIHG-UHFFFAOYSA-N Synonym: amiodarone hydrochloride,amiodarone hcl,amiodar,nexterone,pacerone,amiodaronum hydrochloride,ritmocardyl,rythmarone,angoron PubChem CID: 441325 IUPAC Name: (2-butyl-1-benzofuran-3-yl)-[4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl]methanone;hydrochloride SMILES: CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I.Cl
| PubChem CID | 441325 |
|---|---|
| CAS | 19774-82-4 |
| Molecular Weight (g/mol) | 681.778 |
| MDL Number | MFCD00069204 |
| SMILES | CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I.Cl |
| Synonym | amiodarone hydrochloride,amiodarone hcl,amiodar,nexterone,pacerone,amiodaronum hydrochloride,ritmocardyl,rythmarone,angoron |
| IUPAC Name | (2-butyl-1-benzofuran-3-yl)-[4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl]methanone;hydrochloride |
| InChI Key | ITPDYQOUSLNIHG-UHFFFAOYSA-N |
| Molecular Formula | C25H30ClI2NO3 |
2-Amino-5-methoxypyrimidine, 97%
CAS: 13418-77-4 Molecular Formula: C5H7N3O Molecular Weight (g/mol): 125.13 MDL Number: MFCD00187864 InChI Key: KAHHAPNRIQLSFT-UHFFFAOYSA-N PubChem CID: 2305244 IUPAC Name: 5-methoxypyrimidin-2-amine SMILES: COC1=CN=C(N)N=C1
| PubChem CID | 2305244 |
|---|---|
| CAS | 13418-77-4 |
| Molecular Weight (g/mol) | 125.13 |
| MDL Number | MFCD00187864 |
| SMILES | COC1=CN=C(N)N=C1 |
| IUPAC Name | 5-methoxypyrimidin-2-amine |
| InChI Key | KAHHAPNRIQLSFT-UHFFFAOYSA-N |
| Molecular Formula | C5H7N3O |
1-Amino-3,6,9,12-tetraoxapentadec-14-yne
CAS: 1013921-36-2 Molecular Formula: C11H21NO4 Molecular Weight (g/mol): 231.292 MDL Number: MFCD22380736 InChI Key: QDLPAHLHHBCWOW-UHFFFAOYSA-N Synonym: 3,6,9,12-tetraoxapentadec-14-yn-1-amine,amino-peg4-alkyne,propyne-peg4-amine,h2n-peg4-propyne,propyne-peg4-nh2,propargyl-peg4-amine,1-amino-3,6,9,12-tetraoxapentadec-14-yne,hc inverted exclamation markoc-ch2-peg4-nh2,2-2-2-2-propargyloxy ethoxy ethoxy ethoxy ethylamine PubChem CID: 86580391 IUPAC Name: 2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethanamine SMILES: C#CCOCCOCCOCCOCCN
| PubChem CID | 86580391 |
|---|---|
| CAS | 1013921-36-2 |
| Molecular Weight (g/mol) | 231.292 |
| MDL Number | MFCD22380736 |
| SMILES | C#CCOCCOCCOCCOCCN |
| Synonym | 3,6,9,12-tetraoxapentadec-14-yn-1-amine,amino-peg4-alkyne,propyne-peg4-amine,h2n-peg4-propyne,propyne-peg4-nh2,propargyl-peg4-amine,1-amino-3,6,9,12-tetraoxapentadec-14-yne,hc inverted exclamation markoc-ch2-peg4-nh2,2-2-2-2-propargyloxy ethoxy ethoxy ethoxy ethylamine |
| IUPAC Name | 2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethanamine |
| InChI Key | QDLPAHLHHBCWOW-UHFFFAOYSA-N |
| Molecular Formula | C11H21NO4 |
Ethyl benzoylacetate, 90+%
CAS: 94-02-0 Molecular Formula: C11H12O3 Molecular Weight (g/mol): 192.214 MDL Number: MFCD00009196 InChI Key: GKKZMYDNDDMXSE-UHFFFAOYSA-N Synonym: ethyl benzoylacetate,benzoylacetic acid ethyl ester,ethyl benzoyl acetate,acetic acid, benzoyl-, ethyl ester,ethyl beta-oxobenzenepropanoate,ethylbenzoylacetate,benzoylacetic acid, ethyl ester,ethyl 3-phenyl-3-oxopropanoate,benzenepropanoic acid, beta-oxo-, ethyl ester,ethyl 3-oxo-3-phenylpropionate PubChem CID: 7170 IUPAC Name: ethyl 3-oxo-3-phenylpropanoate SMILES: CCOC(=O)CC(=O)C1=CC=CC=C1
| PubChem CID | 7170 |
|---|---|
| CAS | 94-02-0 |
| Molecular Weight (g/mol) | 192.214 |
| MDL Number | MFCD00009196 |
| SMILES | CCOC(=O)CC(=O)C1=CC=CC=C1 |
| Synonym | ethyl benzoylacetate,benzoylacetic acid ethyl ester,ethyl benzoyl acetate,acetic acid, benzoyl-, ethyl ester,ethyl beta-oxobenzenepropanoate,ethylbenzoylacetate,benzoylacetic acid, ethyl ester,ethyl 3-phenyl-3-oxopropanoate,benzenepropanoic acid, beta-oxo-, ethyl ester,ethyl 3-oxo-3-phenylpropionate |
| IUPAC Name | ethyl 3-oxo-3-phenylpropanoate |
| InChI Key | GKKZMYDNDDMXSE-UHFFFAOYSA-N |
| Molecular Formula | C11H12O3 |
3-Butyn-2-one, 98%
CAS: 1423-60-5 Molecular Formula: C4H4O Molecular Weight (g/mol): 68.08 MDL Number: MFCD00008775 InChI Key: XRGPFNGLRSIPSA-UHFFFAOYSA-N Synonym: 3-butyn-2-one,1-butyn-3-one,methyl ethynyl ketone,acetylacetylene,butyn-2-one,acetylethyne,1-butyne-3-one,3-butyne-2-one,ethynyl methyl ketone,ch3coc#ch PubChem CID: 15018 ChEBI: CHEBI:48060 IUPAC Name: but-3-yn-2-one SMILES: CC(=O)C#C
| PubChem CID | 15018 |
|---|---|
| CAS | 1423-60-5 |
| Molecular Weight (g/mol) | 68.08 |
| ChEBI | CHEBI:48060 |
| MDL Number | MFCD00008775 |
| SMILES | CC(=O)C#C |
| Synonym | 3-butyn-2-one,1-butyn-3-one,methyl ethynyl ketone,acetylacetylene,butyn-2-one,acetylethyne,1-butyne-3-one,3-butyne-2-one,ethynyl methyl ketone,ch3coc#ch |
| IUPAC Name | but-3-yn-2-one |
| InChI Key | XRGPFNGLRSIPSA-UHFFFAOYSA-N |
| Molecular Formula | C4H4O |
1-Phenyl-1-pentanol, 95%
CAS: 583-03-9 Molecular Formula: C11H16O Molecular Weight (g/mol): 164.248 MDL Number: MFCD00021935 InChI Key: OVGORFFCBUIFIA-UHFFFAOYSA-N Synonym: fenipentol,1-phenyl-1-pentanol,1-phenylpentanol,pancoral,phenylbutylcarbinol,suiclisin,alpha-butylbenzyl alcohol,1-pentanol, 1-phenyl,1-phenyl-1-hydroxypentane,ph bc PubChem CID: 3338 IUPAC Name: 1-phenylpentan-1-ol SMILES: CCCCC(C1=CC=CC=C1)O
| PubChem CID | 3338 |
|---|---|
| CAS | 583-03-9 |
| Molecular Weight (g/mol) | 164.248 |
| MDL Number | MFCD00021935 |
| SMILES | CCCCC(C1=CC=CC=C1)O |
| Synonym | fenipentol,1-phenyl-1-pentanol,1-phenylpentanol,pancoral,phenylbutylcarbinol,suiclisin,alpha-butylbenzyl alcohol,1-pentanol, 1-phenyl,1-phenyl-1-hydroxypentane,ph bc |
| IUPAC Name | 1-phenylpentan-1-ol |
| InChI Key | OVGORFFCBUIFIA-UHFFFAOYSA-N |
| Molecular Formula | C11H16O |
2-Methoxyethanol, ACS, 99.3+%
CAS: 109-86-4 Molecular Formula: C3H8O2 Molecular Weight (g/mol): 76.095 MDL Number: MFCD00002867 InChI Key: XNWFRZJHXBZDAG-UHFFFAOYSA-N Synonym: methyl cellosolve,ethanol, 2-methoxy,ethylene glycol monomethyl ether,methyl oxitol,2-methoxy-1-ethanol,methoxyethanol,3-oxa-1-butanol,egme,monomethyl glycol,dowanol em PubChem CID: 8019 ChEBI: CHEBI:46790 IUPAC Name: 2-methoxyethanol SMILES: COCCO
| PubChem CID | 8019 |
|---|---|
| CAS | 109-86-4 |
| Molecular Weight (g/mol) | 76.095 |
| ChEBI | CHEBI:46790 |
| MDL Number | MFCD00002867 |
| SMILES | COCCO |
| Synonym | methyl cellosolve,ethanol, 2-methoxy,ethylene glycol monomethyl ether,methyl oxitol,2-methoxy-1-ethanol,methoxyethanol,3-oxa-1-butanol,egme,monomethyl glycol,dowanol em |
| IUPAC Name | 2-methoxyethanol |
| InChI Key | XNWFRZJHXBZDAG-UHFFFAOYSA-N |
| Molecular Formula | C3H8O2 |
3-Benzylidene-2,4-pentanedione, 97%
CAS: 4335-90-4 Molecular Formula: C12H12O2 Molecular Weight (g/mol): 188.23 MDL Number: MFCD00014990 InChI Key: NYRGMNMVISROGJ-UHFFFAOYSA-N Synonym: 3-benzylidene-2,4-pentanedione,benzalacetylacetone,benzylidene acetylacetone,3-benzylideneacetylacetone,2,4-pentanedione, 3-phenylmethylene,1,1-diacetyl-2-phenylethylene,2,2-diacetylvinyl benzene,2-acetyl-1-phenyl but-1-en-3-one,2,4-pentanedione, 3-benzylidene,3-benzylidene acetylacetone PubChem CID: 95782 IUPAC Name: 3-benzylidenepentane-2,4-dione SMILES: CC(=O)C(=CC1=CC=CC=C1)C(C)=O
| PubChem CID | 95782 |
|---|---|
| CAS | 4335-90-4 |
| Molecular Weight (g/mol) | 188.23 |
| MDL Number | MFCD00014990 |
| SMILES | CC(=O)C(=CC1=CC=CC=C1)C(C)=O |
| Synonym | 3-benzylidene-2,4-pentanedione,benzalacetylacetone,benzylidene acetylacetone,3-benzylideneacetylacetone,2,4-pentanedione, 3-phenylmethylene,1,1-diacetyl-2-phenylethylene,2,2-diacetylvinyl benzene,2-acetyl-1-phenyl but-1-en-3-one,2,4-pentanedione, 3-benzylidene,3-benzylidene acetylacetone |
| IUPAC Name | 3-benzylidenepentane-2,4-dione |
| InChI Key | NYRGMNMVISROGJ-UHFFFAOYSA-N |
| Molecular Formula | C12H12O2 |
1,2,4-Butanetriol, 96%, Thermo Scientific Chemicals
CAS: 3068-00-6 Molecular Formula: C4H10O3 Molecular Weight (g/mol): 106.121 MDL Number: MFCD00002929 InChI Key: ARXKVVRQIIOZGF-UHFFFAOYSA-N Synonym: 1,2,4-butanetriol,2-deoxyerythritol,1,3,4-butanetriol,triol 124,1,2,4-trihydroxybutane,1,2,4-butantriol,1,2,4-butantriol german,+/--1,2,4-butanetriol,2-deoxyerthritol,dialkylenethiourea PubChem CID: 18302 IUPAC Name: butane-1,2,4-triol SMILES: C(CO)C(CO)O
| PubChem CID | 18302 |
|---|---|
| CAS | 3068-00-6 |
| Molecular Weight (g/mol) | 106.121 |
| MDL Number | MFCD00002929 |
| SMILES | C(CO)C(CO)O |
| Synonym | 1,2,4-butanetriol,2-deoxyerythritol,1,3,4-butanetriol,triol 124,1,2,4-trihydroxybutane,1,2,4-butantriol,1,2,4-butantriol german,+/--1,2,4-butanetriol,2-deoxyerthritol,dialkylenethiourea |
| IUPAC Name | butane-1,2,4-triol |
| InChI Key | ARXKVVRQIIOZGF-UHFFFAOYSA-N |
| Molecular Formula | C4H10O3 |
5-Thio-D-glucose, 97+%, Thermo Scientific Chemicals
CAS: 20408-97-3 Molecular Formula: C6H12O5S Molecular Weight (g/mol): 196.217 MDL Number: MFCD00006663 InChI Key: IJJLRUSZMLMXCN-SLPGGIOYSA-N Synonym: 5-thio-d-glucose,d-glucose, 5-thio,alpha-d-glucothiopyranose,2r,3r,4s,5r-2,3,4,6-tetrahydroxy-5-mercaptohexanal,unii-3prv1384uo,5-thio-alpha-d-glucopyranose,glucose, 5-thio-, d,2r,3r,4s,5r-2,3,4,6-tetrahydroxy-5-sulfanylhexanal PubChem CID: 88527 IUPAC Name: (2R,3R,4S,5R)-2,3,4,6-tetrahydroxy-5-sulfanylhexanal SMILES: C(C(C(C(C(C=O)O)O)O)S)O
| PubChem CID | 88527 |
|---|---|
| CAS | 20408-97-3 |
| Molecular Weight (g/mol) | 196.217 |
| MDL Number | MFCD00006663 |
| SMILES | C(C(C(C(C(C=O)O)O)O)S)O |
| Synonym | 5-thio-d-glucose,d-glucose, 5-thio,alpha-d-glucothiopyranose,2r,3r,4s,5r-2,3,4,6-tetrahydroxy-5-mercaptohexanal,unii-3prv1384uo,5-thio-alpha-d-glucopyranose,glucose, 5-thio-, d,2r,3r,4s,5r-2,3,4,6-tetrahydroxy-5-sulfanylhexanal |
| IUPAC Name | (2R,3R,4S,5R)-2,3,4,6-tetrahydroxy-5-sulfanylhexanal |
| InChI Key | IJJLRUSZMLMXCN-SLPGGIOYSA-N |
| Molecular Formula | C6H12O5S |
6-Fluoroquinoline-2-carboxaldehyde, 97%
CAS: 260430-93-1 Molecular Formula: C10H6FNO MDL Number: MFCD06751849 InChI Key: JDQMJKKGPXPPOJ-UHFFFAOYSA-N Synonym: 2-quinolinecarboxaldehyde, 6-fluoro,6-fluoro-2-quinolinecarbaldehyde,6-fluoro-quinoline-2-carbaldehyde,6-fluoroquinoline-2-carboxaldehyde,4-aminomethyl-1-isoindolinone PubChem CID: 3159605 IUPAC Name: 6-fluoroquinoline-2-carbaldehyde
| PubChem CID | 3159605 |
|---|---|
| CAS | 260430-93-1 |
| MDL Number | MFCD06751849 |
| Synonym | 2-quinolinecarboxaldehyde, 6-fluoro,6-fluoro-2-quinolinecarbaldehyde,6-fluoro-quinoline-2-carbaldehyde,6-fluoroquinoline-2-carboxaldehyde,4-aminomethyl-1-isoindolinone |
| IUPAC Name | 6-fluoroquinoline-2-carbaldehyde |
| InChI Key | JDQMJKKGPXPPOJ-UHFFFAOYSA-N |
| Molecular Formula | C10H6FNO |