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2-[(tert-butoxy)carbonyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid - 97%, high purity , CAS No.149353-95-7

COA

Grade & Purity:

≥97%

Cas Number: 149353-95-7
Molecular Weight: 277.32
PubChem CID: 18988374
PubChem SID: 488199688

In stock

Item Number

T174348

Grouped product items
SKU	Size	Availability	Price
T174348-25mg	25mg	3	$15.90
T174348-100mg	100mg	3	$52.90
T174348-250mg	250mg	7	$89.90
T174348-1g	1g	4	$201.90
T174348-5g	5g	2	$612.90

Basic Description

Synonyms	149353-95-7 \| 2-(TERT-BUTOXYCARBONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-CARBOXYLIC ACID \| N-Boc-1,2,3,4-Tetrahydroisoquinoline-7-carboxylic acid \| 2-[(tert-butoxy)carbonyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid \| 2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4
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 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	Benzenoids Carbamate esters Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Tetrahydroisoquinoline - Benzenoid - Carbamic acid ester - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - 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

Pubchem Sid	488199688
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488199688
IUPAC Name	2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid
INCHI	InChI=1S/C15H19NO4/c1-15(2,3)20-14(19)16-7-6-10-4-5-11(13(17)18)8-12(10)9-16/h4-5,8H,6-7,9H2,1-3H3,(H,17,18)
InChIKey	FOOWPXAXLKCQAE-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CCC2=C(C1)C=C(C=C2)C(=O)O
Isomeric SMILES	CC(C)(C)OC(=O)N1CCC2=C(C1)C=C(C=C2)C(=O)O
PubChem CID	18988374
Molecular Weight	277.32

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

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

Analytical Chart:

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10 results found

Lot Number	Certificate Type	Date	Item
G2312960	Certificate of Analysis	Jun 25, 2023	T174348
G23121078	Certificate of Analysis	Jun 25, 2023	T174348
G2312943	Certificate of Analysis	Jun 25, 2023	T174348
G23121602	Certificate of Analysis	Jun 25, 2023	T174348
G2312950	Certificate of Analysis	Jun 25, 2023	T174348
G2312948	Certificate of Analysis	Jun 25, 2023	T174348
G2312935	Certificate of Analysis	Jun 25, 2023	T174348
G23121081	Certificate of Analysis	Jun 25, 2023	T174348
G23121058	Certificate of Analysis	Jun 25, 2023	T174348
G23121051	Certificate of Analysis	Jun 25, 2023	T174348

Chemical and Physical Properties

Sensitivity	Moisture sensitive
Molecular Weight	277.310 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	277.131 Da
Monoisotopic Mass	277.131 Da
Topological Polar Surface Area	66.800 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	388.000
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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