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4-Cyano-N-methoxy-N-methylbenzamide - 95%, high purity , CAS No.116332-64-0

COA

Grade & Purity:

≥95%

Cas Number: 116332-64-0
Molecular Weight: 190.2
PubChem CID: 11019640

In stock

Item Number

C586470

Grouped product items
SKU	Size	Availability	Price
C586470-250mg	250mg	3	$41.90
C586470-1g	1g	3	$47.90
C586470-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$212.90

Basic Description

Synonyms	BZGBXNBROBZKLC-UHFFFAOYSA-N \| J-515231 \| (4-Cyanophenyl)-N-methoxy-N-methylformamide \| Benzamide, 4-cyano-N-methoxy-N-methyl- \| AKOS005072967 \| 4-Cyano-N-methoxy-N-methylbenzenecarboxamide \| F1903-0219 \| MFCD07367975 \| A900674 \| EN300-1228362 \| SODIUMTETR
Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C,Desiccated
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 Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzoic acids and derivatives
Alternative Parents	Benzoyl derivatives Benzonitriles Nitriles Carboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzoic acid or derivatives - Benzoyl - Benzonitrile - Nitrile - Carbonitrile - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring.
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

Names and Identifiers

IUPAC Name	4-cyano-N-methoxy-N-methylbenzamide
INCHI	InChI=1S/C10H10N2O2/c1-12(14-2)10(13)9-5-3-8(7-11)4-6-9/h3-6H,1-2H3
InChIKey	BZGBXNBROBZKLC-UHFFFAOYSA-N
Smiles	CN(C(=O)C1=CC=C(C=C1)C#N)OC
Isomeric SMILES	CN(C(=O)C1=CC=C(C=C1)C#N)OC
Molecular Weight	190.2
Reaxy-Rn	5934222
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5934222&ln=

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

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

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
H2308737	Certificate of Analysis	Jul 20, 2023	C586470
H2308733	Certificate of Analysis	Jul 20, 2023	C586470
H2308716	Certificate of Analysis	Jul 20, 2023	C586470

Chemical and Physical Properties

Melt Point(°C)	78-80
Molecular Weight	190.200 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	190.074 Da
Monoisotopic Mass	190.074 Da
Topological Polar Surface Area	53.300 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	248.000
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

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