BRN 1439117

2-(diethylamino)ethyl 2-(5-methyl-2-oxo-3-prop-2-enyloxolan-3-yl)benzoate

CAS: 96111-47-6

Molecular Formula	`C21H29NO4`
Molecular Weight	359.5 g/mol
LogP	3.9
Topological Polar Surface Area	55.8 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	10
Exact Mass	359.20966
Heavy Atoms	26
Complexity	502.0

Chemical Identifiers

CAS Number	96111-47-6
SMILES	`CCN(CC)CCOC(=O)C1=CC=CC=C1C2(CC(OC2=O)C)CC=C`
InChIKey	`NIOMPBNQUGQPII-UHFFFAOYSA-N`

📖 Product Overview

BRN 1439117 (CAS: 96111-47-6) is a chemical compound with molecular formula C21H29NO4 and molecular weight 359.5 g/mol. Its IUPAC systematic name is 2-(diethylamino)ethyl 2-(5-methyl-2-oxo-3-prop-2-enyloxolan-3-yl)benzoate. LogP 3.9 Topological Polar Surface Area 55.8 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 5 Rotatable Bonds 10 Exact Mass 359.20966 Heavy Atoms 26 Complexity 502.0 InChI Key: NIOMPBNQUGQPII-UHFFFAOYSA-N. SMILES: CCN(CC)CCOC(=O)C1=CC=CC=C1C2(CC(OC2=O)C)CC=C.

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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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