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Ethyl 3-methylbenzene-1-carboximidate hydrochloride - ≥95%, high purity , CAS No.54998-35-5

COA

Grade & Purity:

≥95%

Cas Number: 54998-35-5
Molecular Weight: 199.68
PubChem CID: 21938086

In stock

Item Number

E730301

Grouped product items
SKU	Size	Availability	Price	Qty
E730301-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,126.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Toluenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Toluenes
Intermediate Tree Nodes	Not available
Direct Parent	Toluenes
Alternative Parents	Carboximidic acids and derivatives Organooxygen compounds Organonitrogen compounds Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Toluene - Carboximidic acid derivative - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as toluenes. These are compounds containing a benzene ring which bears a methane group.
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	ethyl 3-methylbenzenecarboximidate;hydrochloride
INCHI	InChI=1S/C10H13NO.ClH/c1-3-12-10(11)9-6-4-5-8(2)7-9;/h4-7,11H,3H2,1-2H3;1H
InChIKey	JUNVYEHEQAUNGR-UHFFFAOYSA-N
Smiles	CCOC(=N)C1=CC=CC(=C1)C.Cl
Isomeric SMILES	CCOC(=N)C1=CC=CC(=C1)C.Cl
PubChem CID	21938086
Molecular Weight	199.68

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	199.680 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	199.076 Da
Monoisotopic Mass	199.076 Da
Topological Polar Surface Area	33.100 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	156.000
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	2

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