Carbamic acid, ethyl-, diester with (2-butoxy-3-methoxyphenethyl)iminodiethanol, malonate, hydrate

2-(2-butoxy-3-methoxyphenyl)ethyl-bis[2-(ethylcarbamoyloxy)ethyl]azanium;3-hydroxy-3-oxopropanoate

CAS: 72017-46-0

Molecular Formula	`C26H43N3O10`
Molecular Weight	557.6 g/mol
Topological Polar Surface Area	177.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	10
Rotatable Bonds	19
Exact Mass	557.29486
Heavy Atoms	39
Complexity	574.0

Chemical Identifiers

CAS Number	72017-46-0
SMILES	`CCCCOC1=C(C=CC=C1OC)CC[NH+](CCOC(=O)NCC)CCOC(=O)NCC.C(C(=O)O)C(=O)[O-]`
InChIKey	`IXRMYBPDLSLADK-UHFFFAOYSA-N`

📖 Product Overview

Carbamic acid, ethyl-, diester with (2-butoxy-3-methoxyphenethyl)iminodiethanol, malonate, hydrate (CAS: 72017-46-0) is a chemical compound with molecular formula C26H43N3O10 and molecular weight 557.6 g/mol. Its IUPAC systematic name is 2-(2-butoxy-3-methoxyphenyl)ethyl-bis[2-(ethylcarbamoyloxy)ethyl]azanium;3-hydroxy-3-oxopropanoate. Topological Polar Surface Area 177.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 10 Rotatable Bonds 19 Exact Mass 557.29486 Heavy Atoms 39 Complexity 574.0 InChI Key: IXRMYBPDLSLADK-UHFFFAOYSA-N. SMILES: CCCCOC1=C(C=CC=C1OC)CC[NH+](CCOC(=O)NCC)CCOC(=O)NCC.C(C(=O)O)C(=O)[O-].

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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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