JavaScript seems to be disabled in your browser. For the best experience on our site, be sure to turn on Javascript in your browser.

This is a demo store. No orders will be fulfilled.

Account

Settings

Language

྾

Home
Chemistry & Biochemicals
Building Blocks
Organic Building Blocks
1-Benzyl-1,4-dihydronicotinamide - >95.0%(HPLC)(N), high purity , CAS No.952-92-1

Skip to the end of the images gallery

Skip to the beginning of the images gallery

1-Benzyl-1,4-dihydronicotinamide - >95.0%(HPLC)(N), high purity , CAS No.952-92-1

1 Citations

COA

Grade & Purity:

≥95%(HPLC)(N)

Cas Number: 952-92-1
Molecular Weight: 214.27
MDL number: MFCD00059769
PubChem CID: 95276
PubChem SID: 504756260

In stock

Item Number

B152221

Grouped product items
SKU	Size	Availability	Price
B152221-250mg	250mg	3	$18.90
B152221-1g	1g	2	$56.90
B152221-5g	5g	1	$158.90
B152221-25g	25g	1	$463.90

View related series

Halogen free heterocyclic block (1207) Pyridines (1259)

Basic Description

Synonyms	B1156 \| (4-ETHYLPHENYL)-(4-N-PROPYLPHENYL)ETHYNE \| CMNUYDSETOTBDE-UHFFFAOYSA-N \| 1,4-Dihydro-N-1-benzylnicotinamide \| 1-Benzyl-1,4-dihydronicotinamide \| 1-Benzyl-1,4-dihydro-nicotinamide \| Nicotinamide, 1-benzyl-1,4-dihydro- \| BNAH \| N-Benzyl-1,4-dihydron
Specifications & Purity	≥95%(HPLC)(N)
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass Pyridinecarboxylic acids and derivatives
      - Level5 Pyridinecarboxamides
        Level6 Nicotinamides
        Level7 N-substituted nicotinamides

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Pyridinecarboxylic acids and derivatives
Intermediate Tree Nodes	Pyridinecarboxamides - Nicotinamides
Direct Parent	N-substituted nicotinamides
Alternative Parents	Phenylmethylamines Benzylamines Dihydropyridines Aralkylamines Vinylogous amides Trialkylamines Primary carboxylic acid amides Amino acids and derivatives Enamines Azacyclic compounds Allylamines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	N-substituted nicotinamide - Benzylamine - Phenylmethylamine - Dihydropyridine - Aralkylamine - Monocyclic benzene moiety - Hydropyridine - Benzenoid - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Primary carboxylic acid amide - Carboxylic acid derivative - Allylamine - Enamine - Azacycle - Organic nitrogen compound - Amine - Organic oxide - Carbonyl group - Organopnictogen compound - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as n-substituted nicotinamides. These are nicotnamides in which the pyridine ring is substituted at position 1.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(non-human)

Genome polyprotein (620 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Chrm1 Muscarinic acetylcholine receptor (3770 Activities)

Discover Target: Chrm1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504756260
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504756260
IUPAC Name	1-benzyl-4H-pyridine-3-carboxamide
INCHI	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
Smiles	C1C=CN(C=C1C(=O)N)CC2=CC=CC=C2
Isomeric SMILES	C1C=CN(C=C1C(=O)N)CC2=CC=CC=C2
Molecular Weight	214.27
Reaxy-Rn	170276
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=170276&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot Number	Certificate Type	Date	Item
F1924046	Certificate of Analysis	Apr 12, 2023	B152221
J2308027	Certificate of Analysis	Apr 12, 2023	B152221
B2328212	Certificate of Analysis	Mar 10, 2023	B152221

Chemical and Physical Properties

Sensitivity	Light Sensitive,Heat Sensitive
Melt Point(°C)	121 °C
Molecular Weight	214.260 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	214.111 Da
Monoisotopic Mass	214.111 Da
Topological Polar Surface Area	46.300 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	314.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Sheng-Yan Yin, Ziyi Li, Yingcai Hu, Xiao Luo, Jishan Li. (2023) A novel metal-free porous covalent organic polymer for efficient room-temperature photocatalytic CO2 reduction via dry-reforming of methane. Green Energy & Environment,

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration

Reviews

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.