BRN 2794746

[2-[4-hydroxybutyl(propyl)amino]-1-(4-hydroxyphenyl)propyl] 3,4,5-trimethoxybenzoate

CAS: 72050-81-8

Molecular Formula	`C26H37NO7`
Molecular Weight	475.6 g/mol
LogP	4.3
Topological Polar Surface Area	97.7 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	15
Exact Mass	475.257
Heavy Atoms	34
Complexity	555.0

Chemical Identifiers

CAS Number	72050-81-8
SMILES	`CCCN(CCCCO)C(C)C(C1=CC=C(C=C1)O)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC`
InChIKey	`IKRHUEZVUOIRSJ-UHFFFAOYSA-N`

📖 Product Overview

BRN 2794746 (CAS: 72050-81-8) is a chemical compound with molecular formula C26H37NO7 and molecular weight 475.6 g/mol. Its IUPAC systematic name is [2-[4-hydroxybutyl(propyl)amino]-1-(4-hydroxyphenyl)propyl] 3,4,5-trimethoxybenzoate. LogP 4.3 Topological Polar Surface Area 97.7 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 8 Rotatable Bonds 15 Exact Mass 475.257 Heavy Atoms 34 Complexity 555.0 InChI Key: IKRHUEZVUOIRSJ-UHFFFAOYSA-N. SMILES: CCCN(CCCCO)C(C)C(C1=CC=C(C=C1)O)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC.

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

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