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(4-Ethoxy-3-methoxyphenyl)methanamine - ≥97%, high purity , CAS No.93489-14-6

COA

Grade & Purity:

≥97%

Cas Number: 93489-14-6
Molecular Weight: 181.24
PubChem CID: 7139460

In stock

Item Number

M710178

Grouped product items
SKU	Size	Availability	Price	Qty
M710178-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,486.90

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenylmethylamines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylmethylamines
Alternative Parents	Phenoxy compounds Methoxybenzenes Benzylamines Anisoles Aralkylamines Alkyl aryl ethers Monoalkylamines Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Anisole - Benzylamine - Phenol ether - Phenylmethylamine - Methoxybenzene - Phenoxy compound - Alkyl aryl ether - Aralkylamine - Ether - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
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-ethoxy-3-methoxyphenyl)methanamine
INCHI	InChI=1S/C10H15NO2/c1-3-13-9-5-4-8(7-11)6-10(9)12-2/h4-6H,3,7,11H2,1-2H3
InChIKey	LMUGJOISPLJRRD-UHFFFAOYSA-N
Smiles	CCOC1=C(C=C(C=C1)CN)OC
Isomeric SMILES	CCOC1=C(C=C(C=C1)CN)OC
PubChem CID	7139460
Molecular Weight	181.24

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	181.230 g/mol
XLogP3	0.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	181.11 Da
Monoisotopic Mass	181.11 Da
Topological Polar Surface Area	44.500 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	141.000
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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