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2-amino-1-(4-methylphenyl)ethanol - 97%, high purity , CAS No.53360-85-3

COA

Grade & Purity:

≥97%

Cas Number: 53360-85-3
Molecular Weight: 151.21
PubChem CID: 3519929

In stock

Item Number

A349424

Grouped product items
SKU	Size	Availability	Price
A349424-50mg	50mg	2	$79.90
A349424-250mg	250mg	2	$235.90
A349424-1g	1g	2	$484.90

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Amino Alcohols (12) Aromatic Ring Compounds (348)

Basic Description

Synonyms	JHBXVBYRGVHEAH-UHFFFAOYSA-N \| MFCD03840176 \| 1794884-99-3 \| 2-Amino-1-p-tolylethanol \| 2-Amino-1-p-tolyl-ethanol \| DTXSID40393261 \| Z336086536 \| C78285 \| Phenanthrene-13C6 (Contain ~5% unlabeled) \| AKOS000123489 \| SCHEMBL531326 \| AB00995388-01 \| NoName_37
Specifications & Purity	≥97%
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 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	Aralkylamines Secondary alcohols 1,2-aminoalcohols Monoalkylamines Hydrocarbon derivatives Aromatic alcohols
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aralkylamine - Toluene - Secondary alcohol - 1,2-aminoalcohol - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Alcohol - 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	2-amino-1-(4-methylphenyl)ethanol
INCHI	InChI=1S/C9H13NO/c1-7-2-4-8(5-3-7)9(11)6-10/h2-5,9,11H,6,10H2,1H3
InChIKey	JHBXVBYRGVHEAH-UHFFFAOYSA-N
Smiles	CC1=CC=C(C=C1)C(CN)O
Isomeric SMILES	CC1=CC=C(C=C1)C(CN)O
WGK Germany	3
Molecular Weight	151.21
Reaxy-Rn	2803147
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2803147&ln=

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
D2428093	Certificate of Analysis	Apr 22, 2024	A349424
D2428094	Certificate of Analysis	Apr 22, 2024	A349424
D2428095	Certificate of Analysis	Apr 22, 2024	A349424
D2428096	Certificate of Analysis	Apr 22, 2024	A349424
D2428097	Certificate of Analysis	Apr 22, 2024	A349424
D2428099	Certificate of Analysis	Apr 22, 2024	A349424

Chemical and Physical Properties

Refractive Index	n20D1.56 (Predicted)
Boil Point(°C)	~300.9° C at 760 mmHg (Predicted)
Melt Point(°C)	59.02° C (Predicted)
Molecular Weight	151.210 g/mol
XLogP3	0.500
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	151.1 Da
Monoisotopic Mass	151.1 Da
Topological Polar Surface Area	46.300 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	108.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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