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4-(2-Aminoethyl)-2-methoxyphenol - ≥95%, high purity , CAS No.554-52-9

3 Citations

COA

Grade & Purity:

Moligand™

≥95%

Cas Number: 554-52-9
Molecular Weight: 167.20
MDL number: MFCD00060621
PubChem CID: 1669
PubChem SID: 504750497

In stock

Item Number

A303971

Grouped product items
SKU	Size	Availability	Price
A303971-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$98.90
A303971-250mg	250mg	3	$204.90
A303971-1g	1g	3	$567.90
A303971-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,552.90

View related series

Metabolite (5307)

Basic Description

Synonyms	3-O-methyldopamine \| Lopac0_000796 \| AKOS000161280 \| EN300-66666 \| Tyramine, 3-methoxy- \| NCGC00015674-03 \| 4-(2-Aminoethyl)-2-methoxyphenol;4-(2-AMINO-ETHYL)-2-METHOXY-PHENOL \| GTPL6642 \| HYDROXY-3-METHOXYPHENETHYLAMINE, 4- \| Q4634167 \| A1-42513 \| AC-671
Specifications & Purity	Moligand™, ≥95%
Storage Temp	Store at 2-8°C,Argon charged,Desiccated
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Grade	Moligand™
Product Description	Product Description： 3-Methoxytyramine, a well known extracellular metabolite of 3-hydroxytyramine/dopamine, is a neuromodulator.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenols
    - Subclass Methoxyphenols

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenols
Subclass	Methoxyphenols
Intermediate Tree Nodes	Not available
Direct Parent	Methoxyphenols
Alternative Parents	Phenethylamines Phenoxy compounds Methoxybenzenes Anisoles 2-arylethylamines Aralkylamines Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Methoxyphenol - Phenethylamine - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - 2-arylethylamine - Aralkylamine - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Ether - Primary amine - Amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
External Descriptors	phenols - methoxybenzene
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(Human)

CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

Discover Target: CHRM1

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

DRD2 Tclin Dopamine D2 receptor (23596 Activities)

Discover Target: DRD2

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

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

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

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

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

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

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

CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

Discover Target: CYP2C9

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

CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

Discover Target: CYP2C19

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

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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

Associated Targets(non-human)

Mapk1 MAP kinase ERK2 (650 Activities)

Discover Target: Mapk1

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	504750497
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504750497
IUPAC Name	4-(2-aminoethyl)-2-methoxyphenol
INCHI	InChI=1S/C9H13NO2/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,11H,4-5,10H2,1H3
InChIKey	DIVQKHQLANKJQO-UHFFFAOYSA-N
Smiles	COC1=C(C=CC(=C1)CCN)O
Isomeric SMILES	COC1=C(C=CC(=C1)CCN)O
Molecular Weight	167.20
Reaxy-Rn	2209832
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2209832&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.

5 results found

Lot Number	Certificate Type	Date	Item
K2117967	Certificate of Analysis	Sep 20, 2024	A303971
G2305411	Certificate of Analysis	Jun 06, 2023	A303971
G2305413	Certificate of Analysis	Jun 06, 2023	A303971
G2305412	Certificate of Analysis	Jun 06, 2023	A303971
G2305414	Certificate of Analysis	Jun 06, 2023	A303971

Chemical and Physical Properties

Solubility	DMSO : 12.5 mg/mL (74.76 mM; Need ultrasonic)；H2O : 2 mg/mL (11.96 mM; Need ultrasonic)
Sensitivity	light sensitive
Flash Point(°C)	138°C
Boil Point(°C)	304.5°C
Molecular Weight	167.200 g/mol
XLogP3	0.200
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	167.095 Da
Monoisotopic Mass	167.095 Da
Topological Polar Surface Area	55.500 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	130.000
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. Wenting Lin, Kan Li, Yingjun Qin, Xing Han, Xiaohui Chen, Yuan Ren. (2023) Flunitrazepam induces neurotoxicity in zebrafish through microbiota-gut-brain axis. SCIENCE OF THE TOTAL ENVIRONMENT, 901 (165974).
2. Xin Huang, Rui Wang, Yikai Wang, Changbao Chen, Shuying Liu. (2023) Investigation on property differences of ginseng and American ginseng by spatial metabolomics of neurochemicals with desorption electrospray ionization mass spectrometry imaging. JOURNAL OF ETHNOPHARMACOLOGY, 303 (116006).
3. Kuangyi Zou, Qianming Li, Dan Li, Yiding Jiao, Lie Wang, Luhe Li, Jiacheng Wang, Yiran Li, Rui Gao, Fangyan Li, Er He, Tingting Ye, Wentao Tang, Jie Song, Jiang Lu, Xusong Li, Hanting Zhang, Xinyin Cao, Ye Zhang. (2024) A Highly Selective Implantable Electrochemical Fiber Sensor for Real-Time Monitoring of Blood Homovanillic Acid. ACS Nano,

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