Compound C12H28Cl2N2O

[3-(azepan-1-ium-1-yl)-2-hydroxypropyl]-propan-2-ylazanium dichloride

CAS: 104317-89-7

Molecular Formula	`C12H28Cl2N2O`
Molecular Weight	287.27 g/mol
Topological Polar Surface Area	41.3 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	3
Rotatable Bonds	5
Exact Mass	286.15787
Heavy Atoms	17
Complexity	154.0

Chemical Identifiers

CAS Number	104317-89-7
SMILES	`CC(C)[NH2+]CC(C[NH+]1CCCCCC1)O.[Cl-].[Cl-]`
InChIKey	`CGLBQDDNZLHDSV-UHFFFAOYSA-N`

📖 Product Overview

Compound C12H28Cl2N2O (CAS: 104317-89-7) is a chemical compound with molecular formula C12H28Cl2N2O and molecular weight 287.27 g/mol. Its IUPAC systematic name is [3-(azepan-1-ium-1-yl)-2-hydroxypropyl]-propan-2-ylazanium dichloride. Topological Polar Surface Area 41.3 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 3 Rotatable Bonds 5 Exact Mass 286.15787 Heavy Atoms 17 Complexity 154.0 InChI Key: CGLBQDDNZLHDSV-UHFFFAOYSA-N. SMILES: CC(C)[NH2+]CC(C[NH+]1CCCCCC1)O.[Cl-].[Cl-].

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