Compound C20H26ClNO

2-(4-methylphenyl)ethyl-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)azanium chloride

CAS: 56071-35-3

Molecular Formula	`C20H26ClNO`
Molecular Weight	331.9 g/mol
Topological Polar Surface Area	25.8 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	2
Rotatable Bonds	4
Exact Mass	331.1703
Heavy Atoms	23
Complexity	324.0

Chemical Identifiers

CAS Number	56071-35-3
SMILES	`CC1=CC=C(C=C1)CC[NH2+]C2CCCOC3=C2C=C(C=C3)C.[Cl-]`
InChIKey	`XYRZFCAFADZBLC-UHFFFAOYSA-N`

📖 Product Overview

Compound C20H26ClNO (CAS: 56071-35-3) is a chemical compound with molecular formula C20H26ClNO and molecular weight 331.9 g/mol. Its IUPAC systematic name is 2-(4-methylphenyl)ethyl-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)azanium chloride. Topological Polar Surface Area 25.8 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 2 Rotatable Bonds 4 Exact Mass 331.1703 Heavy Atoms 23 Complexity 324.0 InChI Key: XYRZFCAFADZBLC-UHFFFAOYSA-N. SMILES: CC1=CC=C(C=C1)CC[NH2+]C2CCCOC3=C2C=C(C=C3)C.[Cl-].

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