BRN 2789246

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

CAS: 72017-45-9

Molecular Formula	`C26H37NO6`
Molecular Weight	459.6 g/mol
LogP	4.6
Topological Polar Surface Area	77.5 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	15
Exact Mass	459.2621
Heavy Atoms	33
Complexity	527.0

Chemical Identifiers

CAS Number	72017-45-9
SMILES	`CCCN(CCCCO)C(C)C(C1=CC=CC=C1)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC`
InChIKey	`RIWWEJLQVFPIEB-UHFFFAOYSA-N`

📖 Product Overview

BRN 2789246 (CAS: 72017-45-9) is a chemical compound with molecular formula C26H37NO6 and molecular weight 459.6 g/mol. Its IUPAC systematic name is [2-[4-hydroxybutyl(propyl)amino]-1-phenylpropyl] 3,4,5-trimethoxybenzoate. LogP 4.6 Topological Polar Surface Area 77.5 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 7 Rotatable Bonds 15 Exact Mass 459.2621 Heavy Atoms 33 Complexity 527.0 InChI Key: RIWWEJLQVFPIEB-UHFFFAOYSA-N. SMILES: CCCN(CCCCO)C(C)C(C1=CC=CC=C1)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC.

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