(2-ethyl-1,2,3,4-tetrahydroisoquinolin-2-ium-5-yl) acetate bromide

CAS: 16232-81-8

Molecular Formula	`C13H18BrNO2`
Molecular Weight	300.19 g/mol
Topological Polar Surface Area	30.7 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	3
Exact Mass	299.0521
Heavy Atoms	17
Complexity	254.0

Chemical Identifiers

CAS Number	16232-81-8
SMILES	`CC[NH+]1CCC2=C(C1)C=CC=C2OC(=O)C.[Br-]`
InChIKey	`FPEFARWGXDPLIZ-UHFFFAOYSA-N`

📖 Product Overview

(2-ethyl-1,2,3,4-tetrahydroisoquinolin-2-ium-5-yl) acetate bromide (CAS: 16232-81-8) is a chemical compound with molecular formula C13H18BrNO2 and molecular weight 300.19 g/mol. Its IUPAC systematic name is (2-ethyl-1,2,3,4-tetrahydroisoquinolin-2-ium-5-yl) acetate bromide. Topological Polar Surface Area 30.7 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 3 Exact Mass 299.0521 Heavy Atoms 17 Complexity 254.0 InChI Key: FPEFARWGXDPLIZ-UHFFFAOYSA-N. SMILES: CC[NH+]1CCC2=C(C1)C=CC=C2OC(=O)C.[Br-].

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