Compound C21H40ClNO3

2-[2-cycloheptyl-2-(1-hydroxycyclohexyl)acetyl]oxyethyl-diethylazanium chloride

CAS: 95135-77-6

Molecular Formula	`C21H40ClNO3`
Molecular Weight	390.0 g/mol
Topological Polar Surface Area	51.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	9
Exact Mass	389.26968
Heavy Atoms	26
Complexity	381.0

Chemical Identifiers

CAS Number	95135-77-6
SMILES	`CC[NH+](CC)CCOC(=O)C(C1CCCCCC1)C2(CCCCC2)O.[Cl-]`
InChIKey	`VPXMTVXHZSAKBD-UHFFFAOYSA-N`

📖 Product Overview

Compound C21H40ClNO3 (CAS: 95135-77-6) is a chemical compound with molecular formula C21H40ClNO3 and molecular weight 390.0 g/mol. Its IUPAC systematic name is 2-[2-cycloheptyl-2-(1-hydroxycyclohexyl)acetyl]oxyethyl-diethylazanium chloride. Topological Polar Surface Area 51.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 9 Exact Mass 389.26968 Heavy Atoms 26 Complexity 381.0 InChI Key: VPXMTVXHZSAKBD-UHFFFAOYSA-N. SMILES: CC[NH+](CC)CCOC(=O)C(C1CCCCCC1)C2(CCCCC2)O.[Cl-].

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