Compound C16H27Cl2N3O

[amino-(4-propan-2-yloxyphenyl)methylidene]-(2-pyrrolidin-1-ium-1-ylethyl)azanium dichloride

CAS: 62979-96-8

Molecular Formula	`C16H27Cl2N3O`
Molecular Weight	348.3 g/mol
Topological Polar Surface Area	53.7 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	3
Rotatable Bonds	6
Exact Mass	347.1531
Heavy Atoms	22
Complexity	303.0

Chemical Identifiers

CAS Number	62979-96-8
SMILES	`CC(C)OC1=CC=C(C=C1)C(=[NH+]CC[NH+]2CCCC2)N.[Cl-].[Cl-]`
InChIKey	`WKWJGLUVRJQQEY-UHFFFAOYSA-N`

📖 Product Overview

Compound C16H27Cl2N3O (CAS: 62979-96-8) is a chemical compound with molecular formula C16H27Cl2N3O and molecular weight 348.3 g/mol. Its IUPAC systematic name is [amino-(4-propan-2-yloxyphenyl)methylidene]-(2-pyrrolidin-1-ium-1-ylethyl)azanium dichloride. Topological Polar Surface Area 53.7 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 3 Rotatable Bonds 6 Exact Mass 347.1531 Heavy Atoms 22 Complexity 303.0 InChI Key: WKWJGLUVRJQQEY-UHFFFAOYSA-N. SMILES: CC(C)OC1=CC=C(C=C1)C(=[NH+]CC[NH+]2CCCC2)N.[Cl-].[Cl-].

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