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(S)-1-Phenyl-1,2,3,4-tetrahydroisoquinoline - >98.0%, high purity , CAS No.118864-75-8

COA

Grade & Purity:

≥98%

Cas Number: 118864-75-8
Molecular Weight: 209.29
MDL number: MFCD08692036
PubChem CID: 1382087
PubChem SID: 504760475

In stock

Item Number

S161031

Grouped product items
SKU	Size	Availability	Price
S161031-1g	1g	4	$14.90
S161031-5g	5g	4	$43.90
S161031-10g	10g	1	$78.90
S161031-25g	25g	1	$176.90
S161031-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$637.90

View related series

Pyridines (1259) Six-Membered Heterocyclic Compounds (1696)

Basic Description

Synonyms	PRTRSEDVLBBFJZ-HNNXBMFYSA-N \| N5NZ4W5RGQ \| Q-101005 \| (S)-1,2,3,4-TETRAHYDRO-1-PHENYLISOQUINOLINE \| 1(S)-phenyl-1,2,3,4-tetrahydroisoquinoline \| AMY37044 \| PD119415 \| UNII-N5NZ4W5RGQ \| P2216 \| CS-B0308 \| (1S)-1,2,3,4-tetrahydro-1-phenylisoquinoline \| AKOS
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Tetrahydroisoquinolines
    - Subclass 1-phenyltetrahydroisoquinolines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Tetrahydroisoquinolines
Subclass	1-phenyltetrahydroisoquinolines
Intermediate Tree Nodes	Not available
Direct Parent	1-phenyltetrahydroisoquinolines
Alternative Parents	Aralkylamines Benzene and substituted derivatives Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	1-phenyltetrahydroisoquinoline - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as 1-phenyltetrahydroisoquinolines. These are compounds containing a phenyl group attached to the C1-atom of a tetrahydroisoquinoline moiety.
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

Pubchem Sid	504760475
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504760475
IUPAC Name	(1S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline
INCHI	InChI=1S/C15H15N/c1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15/h1-9,15-16H,10-11H2/t15-/m0/s1
InChIKey	PRTRSEDVLBBFJZ-HNNXBMFYSA-N
Smiles	C1CNC(C2=CC=CC=C21)C3=CC=CC=C3
Isomeric SMILES	C1CN[C@H](C2=CC=CC=C21)C3=CC=CC=C3
PubChem CID	1382087
Molecular Weight	209.29
Reaxy-Rn	4182092

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

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Lot Number	Certificate Type	Date	Item
C1904096	Certificate of Analysis	Jul 08, 2024	S161031

Chemical and Physical Properties

Solubility	Soluble in Methanol
Specific Rotation[α]	12° (C=0.46,CHCl3)
Melt Point(°C)	89 °C
Molecular Weight	209.290 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	209.12 Da
Monoisotopic Mass	209.12 Da
Topological Polar Surface Area	12.000 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	219.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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