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1-Phenyl-3，4-dihydroisoquinoline - ≥95%, high purity , CAS No.52250-50-7

COA

Grade & Purity:

≥95%

Cas Number: 52250-50-7
Molecular Weight: 207.27
EC Number: 848-404-3
PubChem CID: 609926

In stock

Item Number

P698426

Grouped product items
SKU	Size	Availability	Price
P698426-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$22.90
P698426-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$86.90
P698426-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$426.90
P698426-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$559.90

View related series

Aromatic heterocyclic compounds (462) Nucleic Acid Metabolism (395)

Basic Description

Specifications & Purity	≥95%
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 Organoheterocyclic compounds
  - Class Dihydroisoquinolines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Dihydroisoquinolines
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Dihydroisoquinolines
Alternative Parents	Benzene and substituted derivatives Ketimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Dihydroisoquinoline - Benzenoid - Monocyclic benzene moiety - Ketimine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Imine - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as dihydroisoquinolines. These are isoquinoline derivatives where exactly two carbon atoms joined by an aromatic bond are linked with a hydrogen atom each, resulting in a CC single bond.
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-phenyl-3,4-dihydroisoquinoline
INCHI	InChI=1S/C15H13N/c1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15/h1-9H,10-11H2
InChIKey	CTOQBSUYGFNMJX-UHFFFAOYSA-N
Smiles	C1CN=C(C2=CC=CC=C21)C3=CC=CC=C3
Isomeric SMILES	C1CN=C(C2=CC=CC=C21)C3=CC=CC=C3
Alternate CAS	52250-50-7
PubChem CID	609926
Molecular Weight	207.27

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	207.270 g/mol
XLogP3	3.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	207.105 Da
Monoisotopic Mass	207.105 Da
Topological Polar Surface Area	12.400 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	263.000
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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