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6-Aminothymol hydrochloride - ≥97%, high purity , CAS No.6321-11-5

COA

Grade & Purity:

≥97%

Cas Number: 6321-11-5
Molecular Weight: 201.69
PubChem CID: 80603

In stock

Item Number

A694725

Grouped product items
SKU	Size	Availability	Price	Qty
A694725-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$273.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Prenol lipids
    - Subclass Monoterpenoids

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Prenol lipids
Subclass	Monoterpenoids
Intermediate Tree Nodes	Not available
Direct Parent	Aromatic monoterpenoids
Alternative Parents	Monocyclic monoterpenoids Phenylpropanes Cumenes p-Aminophenols Meta cresols Aniline and substituted anilines Aminotoluenes 1-hydroxy-2-unsubstituted benzenoids Primary amines Organopnictogen compounds Organooxygen compounds Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Cumene - Phenylpropane - P-aminophenol - Aminotoluene - Aniline or substituted anilines - M-cresol - Aminophenol - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Phenol - Monocyclic benzene moiety - Benzenoid - Organonitrogen compound - Organopnictogen compound - Hydrochloride - Amine - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Primary amine - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic 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-amino-5-methyl-2-propan-2-ylphenol;hydrochloride
INCHI	InChI=1S/C10H15NO.ClH/c1-6(2)8-5-9(11)7(3)4-10(8)12;/h4-6,12H,11H2,1-3H3;1H
InChIKey	BBJYJPIOFSRDGI-UHFFFAOYSA-N
Smiles	CC1=CC(=C(C=C1N)C(C)C)O.Cl
Isomeric SMILES	CC1=CC(=C(C=C1N)C(C)C)O.Cl
PubChem CID	80603
Molecular Weight	201.69

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	201.690 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	201.092 Da
Monoisotopic Mass	201.092 Da
Topological Polar Surface Area	46.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	147.000
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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