Molecule:100509: Difference between revisions

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-Key	CMNUYDSETOTBDE-UHFFFAOYSA-N
SMILES	C1C(C(N)=O)=CN(CC2C=CC=CC=2)C=C1

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

Revision as of 17:17, 30 December 2024

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BNAH

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Click here to show SMILES and InChI.

‎

Molecule is used on following pages

topic

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

CO2 conversion to CO

Molecule roles

Investigation type	Electron donor
Photocatalytic CO2 conversion experiments	Photocatalytic CO2 reduction with the Mn complexes under various conditions. Photocatalytic CO2 reduction: conditions optimization Table 1: Summary of Catalytic Experiments for Photocatalysis. Table 2: Summary of Control Experiments for Photocatalysis.
Cyclic Voltammetry experiments
Absorption Emission Spectroscopy experiments

@@ Line 11: / Line 11: @@
 |moleculeKey=CMNUYDSETOTBDE-UHFFFAOYSA-N
 |molOrRxn=
-   -INDIGO-10172211112D
+   -INDIGO-12302410452D
   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 BEGIN ATOM
-M  V30 1 C 6.46113 -8.3607 0.0 0
+M  V30 1 C -1.73205 1.0 0.0 0
-M  V30 2 C 4.88161 -6.23186 0.0 0
+M  V30 2 C -0.866026 1.5 0.0 0
-M  V30 3 C 6.53495 -5.73244 0.0 0
+M  V30 3 C 0.0 1.0 0.0 0
-M  V30 4 C 5.56912 -5.50501 0.0 0
+M  V30 4 N 0.0 0.0 0.0 0
-M  V30 5 C 6.82368 -6.69188 0.0 0
+M  V30 5 C -0.866025 -0.5 0.0 0
-M  V30 6 C 5.16623 -7.19066 0.0 0
+M  V30 6 C -1.73205 0.0 0.0 0
-M  V30 7 N 6.14094 -7.42163 0.0 0
+M  V30 7 C -2.59808 -0.5 0.0 0
-M  V30 8 C 7.23922 -5.00583 0.0 0
+M  V30 8 O -2.59808 -1.5 0.0 0
-M  V30 9 O 8.22591 -5.25702 0.0 0
+M  V30 9 N -3.4641 0.0 0.0 0
-M  V30 10 N 6.97446 -4.03416 0.0 0
+M  V30 10 C 0.866026 -0.5 0.0 0
-M  V30 11 C 5.83484 -9.11774 0.0 0
+M  V30 11 C 1.73205 0.0 0.0 0
-M  V30 12 C 5.59204 -10.8267 0.0 0
+M  V30 12 C 1.73205 1.0 0.0 0
-M  V30 13 C 6.20605 -10.0393 0.0 0
+M  V30 13 C 2.59808 1.5 0.0 0
-M  V30 14 C 4.60381 -10.6907 0.0 0
+M  V30 14 C 3.4641 1.0 0.0 0
-M  V30 15 C 4.84452 -8.97457 0.0 0
+M  V30 15 C 3.4641 0.0 0.0 0
-M  V30 16 C 4.22807 -9.75997 0.0 0
+M  V30 16 C 2.59808 -0.5 0.0 0
 M  V30 END ATOM
 M  V30 BEGIN BOND
-M  V30 1 1 4 2
+M  V30 1 1 1 2
-M  V30 2 2 5 3
+M  V30 2 2 2 3
-M  V30 3 2 2 6
+M  V30 3 1 3 4
-M  V30 4 1 3 4
+M  V30 4 1 4 5
-M  V30 5 1 6 7
+M  V30 5 2 5 6
-M  V30 6 1 7 5
+M  V30 6 1 6 1
-M  V30 7 1 7 1
+M  V30 7 1 6 7
-M  V30 8 1 3 8
+M  V30 8 2 7 8
-M  V30 9 2 8 9
+M  V30 9 1 7 9
-M  V30 10 1 8 10
+M  V30 10 1 4 10
-M  V30 11 1 1 11
+M  V30 11 1 10 11
-M  V30 12 2 13 11
+M  V30 12 2 11 12
-M  V30 13 2 14 12
+M  V30 13 1 12 13
-M  V30 14 1 11 15
+M  V30 14 2 13 14
-M  V30 15 1 12 13
+M  V30 15 1 14 15
 M  V30 16 2 15 16
-M  V30 17 1 16 14
+M  V30 17 1 16 11
 M  V30 END BOND
 M  V30 END CTAB
 M  END
-|smiles=C(C1C=CC=CC=1)N1C=C(C(N)=O)CC=C1
+|smiles=C1C(C(N)=O)=CN(CC2C=CC=CC=2)C=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)
 |inchikey=CMNUYDSETOTBDE-UHFFFAOYSA-N

Molecule:100509: Difference between revisions

Revision as of 17:17, 30 December 2024

Molecule is used on following pages

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Molecule:100509: Difference between revisions

Revision as of 17:17, 30 December 2024

Molecule is used on following pages

Molecule roles

Records for role ""

Current site

Topics