N-[(4aS,8aR)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-yl]-4-nitrobenzamide

CAS: 72469-13-7

Molecular Formula	`C17H23N3O3`
Molecular Weight	317.4 g/mol
LogP	2.6
Topological Polar Surface Area	78.2 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	2
Exact Mass	317.17395
Heavy Atoms	23
Complexity	443.0

Chemical Identifiers

CAS Number	72469-13-7
SMILES	`CN1CCC2C(C1)CCCC2NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]`
InChIKey	`HRKMDSLEHKGZGW-JFXOEICMSA-N`

📖 Product Overview

N-[(4aS,8aR)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-yl]-4-nitrobenzamide (CAS: 72469-13-7) is a chemical compound with molecular formula C17H23N3O3 and molecular weight 317.4 g/mol. Its IUPAC systematic name is N-[(4aS,8aR)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-yl]-4-nitrobenzamide. LogP 2.6 Topological Polar Surface Area 78.2 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 2 Exact Mass 317.17395 Heavy Atoms 23 Complexity 443.0 InChI Key: HRKMDSLEHKGZGW-JFXOEICMSA-N. SMILES: CN1CCC2C(C1)CCCC2NC(=O)C3=CC=C(C=C3)[N+](=O)[O-].

🧪

Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

View MSDS →

Frequently Asked Questions

What is the typical lead time for this product?

Lead time typically ranges from 3-7 business days for in-stock items. For larger quantities or custom orders, please contact us for specific lead times.

Can you provide samples for testing?

Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.

What documentation do you provide with the product?

We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

Do you ship internationally?

Yes, we ship to most countries worldwide. Shipping costs and delivery times vary by location. Please contact us for specific shipping information.

📚 Academic Support

Scientific research papers and technical documentation supporting this product for informed procurement decisions.

📖

Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for N-[(4aS,8aR)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-yl]-4-nitrobenzamide.

Browse Technical Blog →

No research papers found for this product yet.

We continuously update our academic references. Check back soon!