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Home/Compounds/CAS 42923-79-5
Formula C9H10N2O2MW 178.19Research-use catalog entryCOA/SDS by request

1,2,3,4-Tetrahydro-7-nitroisoquinoline

CAS Number: 42923-79-5

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Loading RDKit molecule structure...
InChIKey: YPRWYZSUBZXORL-UHFFFAOYSA-NC9H10N2O2 | MW 178.19

Chemical Absolute Identifiers

CAS Number

42923-79-5

PubChem CID

6424833

Molecular Formula

C9H10N2O2

Molecular Weight

178.19 g/mol

Exact Mass

178.074228

InChIKey

YPRWYZSUBZXORL-UHFFFAOYSA-N

IUPAC Name

7-nitro-1,2,3,4-tetrahydroisoquinoline

SMILES String

O=[N+]([O-])c1ccc2c(c1)CNCC2

Physical Properties

No physical property values available.

Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.

Catalog Facts

Structural features

1,2,3,4-Tetrahydro-7-nitroisoquinoline (CAS 42923-79-5) is listed in the Advanced Chemicals portfolio, with molecular formula C9H10N2O2 and molecular weight 178. 19 g/mol.

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

Intended for research building-block and synthetic chemistry workflows; structure-derived tags include nitrogen-containing heterocycle.

Documentation needs

COA/SDS status, availability, lead time, pack size, and shipment documentation can be confirmed during quotation.

Applications & Classification

Heterocyclic Building BlocksSynthetic ChemistryResearch intermediateCustom synthesis building blockResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow
Biological target reference

ChEMBL reports experimental activity evidence for: Phenylethanolamine N-methyltransferase (Homo sapiens) — 3 assays; Phenylethanolamine N-methyltransferase (Bos taurus) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Phenylethanolamine N-methyltransferase

Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 3 documents · best pChEMBL 6.92

Experimental evidence source: ChEMBL

Phenylethanolamine N-methyltransferase

Bos taurus · SINGLE PROTEIN · 2 qualifying assays · 2 documents · best pChEMBL 6.92

Experimental evidence source: ChEMBL

Safety & Handling

Safety and handling reference content is available through documentation requests.

For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.

Preliminary Safety Reference

For supplier-issued SDS or COA, submit a documentation request.

Safety Reference / SDS Request

Names & Synonyms / External Identifiers

Chemical Name

1,2,3,4-Tetrahydro-7-nitroisoquinoline

Names & Synonyms

7-Nitro-1,2,3,4-tetrahydro-isoquinoline7-Nitro-1234-tetrahydroisoquinolineISOQUINOLINE, 1,2,3,4-TETRAHYDRO-7-NITRO-7-nitrotetrahydroisoquinoline7-Nitro-tetrahydroisoquinoline
Show all synonyms
7-nitro-1,2,3,4 tetrahydroisoquinoline7-Nitro-1,2,3,4-tetrahydro Isoquinoline7-Nitro-1 pound not2 pound not3 pound not4-tetrahydroisoquinoline
External Identifiers
DSSTOX SUBSTANCE ID: DTXSID30423728CHEMBL ID: CHEMBL281289WIKIDATA ID: Q72496283
Experimental Spectrum References
Vapor Phase IR Spectra
Literature & Patent References
DOI 10.1021/acs.jmedchem.0c01475Structure-Based Drug Design of Bisubstrate Inhibitors of Phenylethanolamine N-Methyltransferase Possessing Low Nanomolar Affinity at Both Substrate Binding Domains.PMID 33147410Structure-Based Drug Design of Bisubstrate Inhibitors of Phenylethanolamine N-Methyltransferase Possessing Low Nanomolar Affinity at Both Substrate Binding Domains.DOI 10.1016/j.bmc.2007.08.066Synthesis of 4,5,6,7-tetrahydrothieno[3,2-c]pyridines and comparison with their isosteric 1,2,3,4-tetrahydroisoquinolines as inhibitors of phenylethanolamine N-methyltransferase.PMID 18024134Synthesis of 4,5,6,7-tetrahydrothieno[3,2-c]pyridines and comparison with their isosteric 1,2,3,4-tetrahydroisoquinolines as inhibitors of phenylethanolamine N-methyltransferase.DOI 10.1016/j.bmc.2006.11.010Exploring the active site of phenylethanolamine N-methyltransferase with 1,2,3,4-tetrahydrobenz[h]isoquinoline inhibitors.DOI 10.1021/jm0703385Enzyme adaptation to inhibitor binding: a cryptic binding site in phenylethanolamine N-methyltransferase.PMID 17126018Exploring the active site of phenylethanolamine N-methyltransferase with 1,2,3,4-tetrahydrobenz[h]isoquinoline inhibitors.PMID 17845018Enzyme adaptation to inhibitor binding: a cryptic binding site in phenylethanolamine N-methyltransferase.

Documentation & Compliance Facts

Compliance Facts

Shipment review: Required

Documentation available by request

Certificate of Analysis (COA): By request

Supplier Safety Data Sheet (SDS): By request

Purity and pack size confirmation: By request

Availability and lead time review: Confirmed by RFQ

Shipment documentation review: By request

For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference

What happens after RFQ

  1. 1We review the CAS identity, quantity, and documentation request.
  2. 2We check sourcing options, supplier availability, COA/SDS, purity, pack size, and lead time.
  3. 3We review destination and shipment documentation needs when applicable.
  4. 4We follow up with a quotation or clarification request.

Text Reference Cues

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Non-public related references

7-Nitro-1,2,3,4-tetrahydroisoquinoline hydrochlorideCAS 99365-69-2
6-Nitro-1,2,3,4-tetrahydroisoquinolineCAS 174648-98-7
6-Nitro-1,2,3,4-tetrahydroisoquinolineCAS 186390-77-2
7-Chloro-6-nitro-1,2,3,4-tetrahydroisoquinolineCAS 1259326-51-6
7-Bromo-6-nitro-1,2,3,4-tetrahydroisoquinolineCAS 186390-62-5

Non-public references are shown as text only and do not imply equivalence, availability, or shared use.

Catalog navigation

Related Catalog Entries

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.

CAS 99365-69-27-Nitro-1,2,3,4-tetrahydroisoquinoline hydrochlorideCAS 174648-98-76-Nitro-1,2,3,4-tetrahydroisoquinolineCAS 186390-77-26-Nitro-1,2,3,4-tetrahydroisoquinolineCAS 1259326-51-67-Chloro-6-nitro-1,2,3,4-tetrahydroisoquinolineCAS 186390-62-57-Bromo-6-nitro-1,2,3,4-tetrahydroisoquinolineCAS 17680-55-67-Bromo-1,2,3,4-tetrahydroisoquinolineCAS 82771-59-31-(1,2,3,4-Tetrahydroisoquinolin-7-yl)ethan-1-oneCAS 1002310-00-0Tert-butyl 1-(2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethylcarbamateCAS 1005174-17-3(E)-3-(2-Propyl-6-(trifluoromethyl)pyridin-3-yl)acrylic acidCAS 1018125-49-92-(3-Cyclopropyl-6-ethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

RFQ questions for CAS 42923-79-5

What are the key identifiers for 1,2,3,4-Tetrahydro-7-nitroisoquinoline (CAS 42923-79-5)?

1,2,3,4-Tetrahydro-7-nitroisoquinoline is identified by CAS 42923-79-5, with molecular formula C9H10N2O2, molecular weight 178.19, InChIKey YPRWYZSUBZXORL-UHFFFAOYSA-N.

Does CAS 42923-79-5 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with Phenylethanolamine N-methyltransferase, Phenylethanolamine N-methyltransferase. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 42923-79-5?

Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.

Can I request supplier SDS for 1,2,3,4-Tetrahydro-7-nitroisoquinoline?

Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.

Is CAS 42923-79-5 available for quotation?

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