Compound C17H28Cl2N2

[4-[(1,8,8-trimethyl-3-azoniabicyclo[3.2.1]octan-3-yl)methyl]phenyl]azanium dichloride

CAS: 1220-31-1

Molecular Formula	`C17H28Cl2N2`
Molecular Weight	331.3 g/mol
Topological Polar Surface Area	32.1 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	2
Rotatable Bonds	2
Exact Mass	330.16296
Heavy Atoms	21
Complexity	330.0

Chemical Identifiers

CAS Number	1220-31-1
SMILES	`CC1(C2CCC1(C[NH+](C2)CC3=CC=C(C=C3)[NH3+])C)C.[Cl-].[Cl-]`
InChIKey	`JXFXQBRHCQGLBM-UHFFFAOYSA-N`

📖 Product Overview

Compound C17H28Cl2N2 (CAS: 1220-31-1) is a chemical compound with molecular formula C17H28Cl2N2 and molecular weight 331.3 g/mol. Its IUPAC systematic name is [4-[(1,8,8-trimethyl-3-azoniabicyclo[3.2.1]octan-3-yl)methyl]phenyl]azanium dichloride. Topological Polar Surface Area 32.1 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 2 Rotatable Bonds 2 Exact Mass 330.16296 Heavy Atoms 21 Complexity 330.0 InChI Key: JXFXQBRHCQGLBM-UHFFFAOYSA-N. SMILES: CC1(C2CCC1(C[NH+](C2)CC3=CC=C(C=C3)[NH3+])C)C.[Cl-].[Cl-].

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