Molecule:100509: Difference between revisions
From ChemWiki
molecule
(auto-generated) Tag: Reverted |
(auto-generated) Tag: Reverted |
||
| Line 9: | Line 9: | ||
|cas=952-92-1 | |cas=952-92-1 | ||
|hasVendors=true | |hasVendors=true | ||
|moleculeKey= | |moleculeKey=ORTPBQVWJKLWCB-UHFFFAOYSA-N | ||
|molOrRxn= | |molOrRxn= | ||
-INDIGO- | -INDIGO-12302416222D | ||
0 0 0 0 0 0 0 0 0 0 0 V3000 | 0 0 0 0 0 0 0 0 0 0 0 V3000 | ||
M V30 BEGIN CTAB | M V30 BEGIN CTAB | ||
M V30 COUNTS | M V30 COUNTS 18 19 0 0 0 | ||
M V30 BEGIN ATOM | M V30 BEGIN ATOM | ||
M V30 1 C -1.73205 1.0 0.0 0 | M V30 1 C -1.73205 1.0 0.0 0 | ||
| Line 33: | Line 33: | ||
M V30 15 C 3.4641 0.0 0.0 0 | M V30 15 C 3.4641 0.0 0.0 0 | ||
M V30 16 C 2.59808 -0.5 0.0 0 | M V30 16 C 2.59808 -0.5 0.0 0 | ||
M V30 17 C -1.73205 2.0 0.0 0 | |||
M V30 18 C -2.69798 0.741181 0.0 0 | |||
M V30 END ATOM | M V30 END ATOM | ||
M V30 BEGIN BOND | M V30 BEGIN BOND | ||
| Line 52: | Line 54: | ||
M V30 16 2 15 16 | M V30 16 2 15 16 | ||
M V30 17 1 16 11 | M V30 17 1 16 11 | ||
M V30 18 1 1 17 | |||
M V30 19 1 1 18 | |||
M V30 END BOND | M V30 END BOND | ||
M V30 END CTAB | M V30 END CTAB | ||
M END | M END | ||
|smiles= | |||
|inchi=1S/ | |smiles=C(C)(C)1C(C(N)=O)=CN(CC2C=CC=CC=2)C=C1 | ||
|inchikey= | |inchi=1S/C15H18N2O/c1-15(2)8-9-17(11-13(15)14(16)18)10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H2,16,18) | ||
|inchikey=ORTPBQVWJKLWCB-UHFFFAOYSA-N | |||
|width=300px | |width=300px | ||
|height=200px | |height=200px | ||
Revision as of 17:22, 30 December 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 |
Click here to copy MOL-file.
Click here to show SMILES and InChI.
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
- Mn-carbonyl molecular catalysts containing a redox-active phenanthroline-5,6-dione for selective electro- and photoreduction of CO2 to CO or HCOOH
- Photocatalytic Reduction of Carbon Dioxide to CO and HCO2H Using fac-Mn(CN)(bpy)(CO)3
- Photocatalytic CO2 reduction using a Mn complex as a catalyst
investigation
- Mn-carbonyl molecular catalysts containing a redox-active phenanthroline-5,6-dione for selective electro- and photoreduction of CO2 to CO or HCOOH/Photocatalytic CO2 reduction with the Mn complexes under various conditions.
- Photocatalytic Reduction of Carbon Dioxide to CO and HCO2H Using fac-Mn(CN)(bpy)(CO)3/Table 1: Summary of Catalytic Experiments for Photocatalysis.
- Photocatalytic Reduction of Carbon Dioxide to CO and HCO2H Using fac-Mn(CN)(bpy)(CO)3/Table 2: Summary of Control Experiments for Photocatalysis.
- Photocatalytic CO2 reduction using a Mn complex as a catalyst/Photocatalytic CO2 reduction: conditions optimization
other
Molecule roles
| Investigation type | Electron donor |
|---|---|
| Photocatalytic CO2 conversion experiments |
|
| Cyclic Voltammetry experiments |  |
| Absorption Emission Spectroscopy experiments | |
