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

CAS: 72469-09-1

Molecular Formula	`C17H23ClN2O`
Molecular Weight	306.8 g/mol
LogP	3.4
Topological Polar Surface Area	32.3 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	2
Rotatable Bonds	2
Exact Mass	306.1499
Heavy Atoms	21
Complexity	368.0

Chemical Identifiers

CAS Number	72469-09-1
SMILES	`CN1CCC2C(C1)CCCC2NC(=O)C3=CC=C(C=C3)Cl`
InChIKey	`PRJGCDIWQLEJOU-CWSLVUQWSA-N`

📖 Product Overview

N-[(4aR,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-yl]-4-chlorobenzamide (CAS: 72469-09-1) is a chemical compound with molecular formula C17H23ClN2O and molecular weight 306.8 g/mol. Its IUPAC systematic name is N-[(4aR,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-yl]-4-chlorobenzamide. LogP 3.4 Topological Polar Surface Area 32.3 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 2 Rotatable Bonds 2 Exact Mass 306.1499 Heavy Atoms 21 Complexity 368.0 InChI Key: PRJGCDIWQLEJOU-CWSLVUQWSA-N. SMILES: CN1CCC2C(C1)CCCC2NC(=O)C3=CC=C(C=C3)Cl.

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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.

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📚 Academic Support

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Technical Blog Article

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

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