Molecule:100509: Difference between revisions
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molecule
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|moleculeKey=CMNUYDSETOTBDE-UHFFFAOYSA-N | |moleculeKey=CMNUYDSETOTBDE-UHFFFAOYSA-N | ||
|molOrRxn= | |molOrRxn= | ||
-INDIGO- | -INDIGO-10172211112D | ||
0 0 0 0 0 0 0 0 0 0 0 V3000 | 0 0 0 0 0 0 0 0 0 0 0 V3000 | ||
| Line 17: | Line 17: | ||
M V30 COUNTS 16 17 0 0 0 | M V30 COUNTS 16 17 0 0 0 | ||
M V30 BEGIN ATOM | M V30 BEGIN ATOM | ||
M V30 1 | M V30 1 C 6.46113 -8.3607 0.0 0 | ||
M V30 2 C | M V30 2 C 4.88161 -6.23186 0.0 0 | ||
M V30 3 C | M V30 3 C 6.53495 -5.73244 0.0 0 | ||
M V30 4 C | M V30 4 C 5.56912 -5.50501 0.0 0 | ||
M V30 5 C | M V30 5 C 6.82368 -6.69188 0.0 0 | ||
M V30 6 C 5. | M V30 6 C 5.16623 -7.19066 0.0 0 | ||
M V30 7 | M V30 7 N 6.14094 -7.42163 0.0 0 | ||
M V30 8 C | M V30 8 C 7.23922 -5.00583 0.0 0 | ||
M V30 9 | M V30 9 O 8.22591 -5.25702 0.0 0 | ||
M V30 10 | M V30 10 N 6.97446 -4.03416 0.0 0 | ||
M V30 11 C | M V30 11 C 5.83484 -9.11774 0.0 0 | ||
M V30 12 C | M V30 12 C 5.59204 -10.8267 0.0 0 | ||
M V30 13 C | M V30 13 C 6.20605 -10.0393 0.0 0 | ||
M V30 14 C | M V30 14 C 4.60381 -10.6907 0.0 0 | ||
M V30 15 | M V30 15 C 4.84452 -8.97457 0.0 0 | ||
M V30 16 | M V30 16 C 4.22807 -9.75997 0.0 0 | ||
M V30 END ATOM | M V30 END ATOM | ||
M V30 BEGIN BOND | M V30 BEGIN BOND | ||
M V30 1 1 | M V30 1 1 4 2 | ||
M V30 2 2 | M V30 2 2 5 3 | ||
M V30 3 | M V30 3 2 2 6 | ||
M V30 4 1 4 | M V30 4 1 3 4 | ||
M V30 5 | M V30 5 1 6 7 | ||
M V30 6 1 | M V30 6 1 7 5 | ||
M V30 7 1 1 | M V30 7 1 7 1 | ||
M V30 8 1 | M V30 8 1 3 8 | ||
M V30 9 | M V30 9 2 8 9 | ||
M V30 10 | M V30 10 1 8 10 | ||
M V30 11 1 | M V30 11 1 1 11 | ||
M V30 12 2 11 | M V30 12 2 13 11 | ||
M V30 13 | M V30 13 2 14 12 | ||
M V30 14 | M V30 14 1 11 15 | ||
M V30 15 1 | M V30 15 1 12 13 | ||
M V30 16 | M V30 16 2 15 16 | ||
M V30 17 | M V30 17 1 16 14 | ||
M V30 END BOND | M V30 END BOND | ||
M V30 END CTAB | M V30 END CTAB | ||
M END | M END | ||
|smiles= | |smiles=C(C1C=CC=CC=1)N1C=C(C(N)=O)CC=C1 | ||
|inchi=1S/C13H14N2O/c14-13(16)12-7-4-8-15(10-12)9-11-5-2-1-3-6-11/h1-6,8,10H,7,9H2,(H2,14,16) | |inchi=1S/C13H14N2O/c14-13(16)12-7-4-8-15(10-12)9-11-5-2-1-3-6-11/h1-6,8,10H,7,9H2,(H2,14,16) | ||
|inchikey=CMNUYDSETOTBDE-UHFFFAOYSA-N | |inchikey=CMNUYDSETOTBDE-UHFFFAOYSA-N | ||
|width=300px | |width=300px | ||
|height=200px | |height=200px | ||
|float= | |float=none | ||
|logP= | |logP= | ||
|parent= | |parent= | ||
}} | }} | ||
Revision as of 14:45, 6 September 2024
| Properties | |
|---|---|
| CID | 95276 |
| CAS | 952-92-1 |
| IUPAC-Name | 1-(phenylmethyl)-4H-pyridine-3-carboxamide |
| Abbreviation | BNAH |
| Trivialname | 1-Benzyl-1,4-dihydronicotinamide |
| Exact mass | 214.110613074 |
| Molecular formula | C13H14N2O |
| LogP | n/a |
| Has vendors | true |
| Molecular role | n/a |
| Synonyms | 1-Benzyl-1,4-dihydronicotinamide, Benzyldihydronicotinamide, 1-benzyl-1,4-dihydropyridine-3-carboxamide, 1-benzyl-4H-pyridine-3-carboxamide, BNAH, 3-Pyridinecarboxamide, 1,4-dihydro-1-(phenylmethyl)-, HSU8JA8RMP, UNII-HSU8JA8RMP, 1,4-Dihydro-N-1-benzylnicotinamide, NSC-26899 |
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Molecule is used on following pages
topic
- Chemicals used as sacrificial electron donor
- Photocatalytic CO2 conversion to CO
- Homogeneous photocatalytic CO2 conversion
- Photocatalytic CO2 conversion to HCOOH
publication
- Photocatalytic CO2 reduction using a Mn complex as a catalyst
- Photocatalytic Reduction of Carbon Dioxide to CO and HCO2H Using fac-Mn(CN)(bpy)(CO)3
- Mn-carbonyl molecular catalysts containing a redox-active phenanthroline-5,6-dione for selective electro- and photoreduction of CO2 to CO or HCOOH
investigation
- Mn-carbonyl molecular catalysts containing a redox-active phenanthroline-5,6-dione for selective electro- and photoreduction of CO2 to CO or HCOOH/Table 1
- Photocatalytic CO2 reduction using a Mn complex as a catalyst/Photocatalytic CO2 reduction: conditions optimization
- Photocatalytic Reduction of Carbon Dioxide to CO and HCO2H Using fac-Mn(CN)(bpy)(CO)3/Table 1
- Photocatalytic Reduction of Carbon Dioxide to CO and HCO2H Using fac-Mn(CN)(bpy)(CO)3/Table 2
other
Molecule roles
| Investigation type | Electron donor |
|---|---|
| Photocatalytic CO2 conversion experiments |
|
| Cyclic Voltammetry experiments |  |
| Absorption Emission Spectroscopy experiments | |
