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1-(1，2，3，4-Tetrahydroisoquinolin-6-yl)ethanone - ≥95%, high purity , CAS No.949922-27-4

COA

Grade & Purity:

≥95%

Cas Number: 949922-27-4
Molecular Weight: 175.23
PubChem CID: 57420565

In stock

Item Number

E734186

Grouped product items
SKU	Size	Availability	Price	Qty
E734186-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$149.90
E734186-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$508.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Tetrahydroisoquinolines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Tetrahydroisoquinolines
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Tetrahydroisoquinolines
Alternative Parents	Acetophenones Aryl alkyl ketones Aralkylamines Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Tetrahydroisoquinoline - Acetophenone - Aryl ketone - Aryl alkyl ketone - Aralkylamine - Benzenoid - Ketone - Secondary amine - Secondary aliphatic amine - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as tetrahydroisoquinolines. These are tetrahydrogenated isoquinoline derivatives.
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	1-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone
INCHI	InChI=1S/C11H13NO/c1-8(13)9-2-3-11-7-12-5-4-10(11)6-9/h2-3,6,12H,4-5,7H2,1H3
InChIKey	WHFXFTCWKXJMBK-UHFFFAOYSA-N
Smiles	CC(=O)C1=CC2=C(CNCC2)C=C1
Isomeric SMILES	CC(=O)C1=CC2=C(CNCC2)C=C1
PubChem CID	57420565
Molecular Weight	175.23

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	175.230 g/mol
XLogP3	1.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	175.1 Da
Monoisotopic Mass	175.1 Da
Topological Polar Surface Area	29.100 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	202.000
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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