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	C(C1C=CC=CC=1)N1C=C(C(N)=O)CC=C1

Properties
CID	95276
CAS	952-92-1
IUPAC-Name	1-(phenylmethyl)-4h-pyridine-3-carboxamide
Abbreviation	BNAH
Trivialname	1-benzyl-14-dihydronicotinamide
Exact mass	214.110613074
Molecular formula	C13H14N2O
LogP	n/a
Has vendors	true
Molecular role	n/a
Synonyms	1-benzyl-14-dihydronicotinamide,benzyldihydronicotinamide,1-benzyl-14-dihydropyridine-3-carboxamide,1-benzyl-4h-pyridine-3-carboxamide,bnah,3-pyridinecarboxamide 14-dihydro-1-(phenylmethyl)-,hsu8ja8rmp,unii-hsu8ja8rmp,14-dihydro-n-1-benzylnicotinamide,nsc-26899

Revision as of 16:22, 9 January 2023

‎

BNAH

Click here to copy MOL-file.

Click here to show SMILES and InChI.

‎

Molecule is used on following pages

topic

publication

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
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

CO2 conversion to CO

Molecule roles

Investigation type	Electron donor
Photocatalytic CO2 conversion experiments	Photocatalytic CO2 reduction: conditions optimization Table 1 Table 1 Table 2
Cyclic Voltammetry experiments

@@ Line 11: / Line 11: @@
 |moleculeKey=CMNUYDSETOTBDE-UHFFFAOYSA-N
 |molOrRxn=
-   -INDIGO-07072219412D
+   -INDIGO-10172211112D
   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 N 4.75 -5.57501 0.0 0
+M  V30 1 C 6.46113 -8.3607 0.0 0
-M  V30 2 C 3.88399 -5.07501 0.0 0
+M  V30 2 C 4.88161 -6.23186 0.0 0
-M  V30 3 C 3.88399 -4.07499 0.0 0
+M  V30 3 C 6.53495 -5.73244 0.0 0
-M  V30 4 C 4.75 -3.57499 0.0 0
+M  V30 4 C 5.56912 -5.50501 0.0 0
-M  V30 5 C 5.61601 -4.07499 0.0 0
+M  V30 5 C 6.82368 -6.69188 0.0 0
-M  V30 6 C 5.61601 -5.07501 0.0 0
+M  V30 6 C 5.16623 -7.19066 0.0 0
-M  V30 7 C 4.75 -6.57501 0.0 0
+M  V30 7 N 6.14094 -7.42163 0.0 0
-M  V30 8 C 5.61603 -7.07501 0.0 0
+M  V30 8 C 7.23922 -5.00583 0.0 0
-M  V30 9 C 6.48205 -6.57503 0.0 0
+M  V30 9 O 8.22591 -5.25702 0.0 0
-M  V30 10 C 7.34809 -7.07504 0.0 0
+M  V30 10 N 6.97446 -4.03416 0.0 0
-M  V30 11 C 7.3481 -8.07503 0.0 0
+M  V30 11 C 5.83484 -9.11774 0.0 0
-M  V30 12 C 6.48208 -8.57502 0.0 0
+M  V30 12 C 5.59204 -10.8267 0.0 0
-M  V30 13 C 5.61604 -8.07501 0.0 0
+M  V30 13 C 6.20605 -10.0393 0.0 0
-M  V30 14 C 6.48204 -3.575 0.0 0
+M  V30 14 C 4.60381 -10.6907 0.0 0
-M  V30 15 N 7.34806 -4.075 0.0 0
+M  V30 15 C 4.84452 -8.97457 0.0 0
-M  V30 16 O 6.48204 -2.575 0.0 0
+M  V30 16 C 4.22807 -9.75997 0.0 0
 M  V30 END ATOM
 M  V30 BEGIN BOND
-M  V30 1 1 1 2
+M  V30 1 1 4 2
-M  V30 2 2 2 3
+M  V30 2 2 5 3
-M  V30 3 1 3 4
+M  V30 3 2 2 6
-M  V30 4 1 4 5
+M  V30 4 1 3 4
-M  V30 5 2 5 6
+M  V30 5 1 6 7
-M  V30 6 1 6 1
+M  V30 6 1 7 5
-M  V30 7 1 1 7
+M  V30 7 1 7 1
-M  V30 8 1 7 8
+M  V30 8 1 3 8
-M  V30 9 1 8 9
+M  V30 9 2 8 9
-M  V30 10 2 9 10
+M  V30 10 1 8 10
-M  V30 11 1 10 11
+M  V30 11 1 1 11
-M  V30 12 2 11 12
+M  V30 12 2 13 11
-M  V30 13 1 12 13
+M  V30 13 2 14 12
-M  V30 14 2 13 8
+M  V30 14 1 11 15
-M  V30 15 1 5 14
+M  V30 15 1 12 13
-M  V30 16 1 14 15
+M  V30 16 2 15 16
-M  V30 17 2 14 16
+M  V30 17 1 16 14
 M  V30 END BOND
 M  V30 END CTAB
 M  END
-|smiles=N(CC1=CC=CC=C1)1C=C(C(=O)N)CC=C1
+|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)
 |inchikey=CMNUYDSETOTBDE-UHFFFAOYSA-N
 |width=300px
 |height=CMNUYDSETOTBDE-UHFFFAOYSA-N
-|float=left
+|float=none
 |logP=
 |parent=
 }}

Molecule:100509: Difference between revisions

Revision as of 16:22, 9 January 2023

Molecule is used on following pages

Molecule roles

Current site

Topics