Benzamidine, 4-isopropoxy-N-(2-(1-pyrrolidinyl)ethyl)-, dihydrochloride

HCID 44248

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Basic information

CAS: 62979-96-8
Standard SMILES: CC(C)Oc1ccc(C(N)=[NH+]CC[NH+]2CCCC2)cc1.[Cl-].[Cl-]
InChIKey: WKWJGLUVRJQQEY-UHFFFAOYSA-N
Molecular formula: C16H27Cl2N3O
Average molar mass: 348.3 g/mol
Monoisotopic mass: 347.1531179

Names & identifiers

Preferred name: Benzamidine, 4-isopropoxy-N-(2-(1-pyrrolidinyl)ethyl)-, dihydrochloride
IUPAC: [amino-(4-propan-2-yloxyphenyl)methylidene]-(2-pyrrolidin-1-ium-1-ylethyl)azanium dichloride

Names & synonyms

4-Isopropoxy-N-(2-(1-pyrrolidinyl)ethyl)benzamidine dihydrochloride62979-96-8BENZAMIDINE, 4-ISOPROPOXY-N-(2-(1-PYRROLIDINYL)ETHYL)-, DIHYDROCHLORIDERefChem:322632

Database identifiers

CAS: 62979-96-8
PubChem CID: 44248

Properties

Computed structural properties

Topological polar surface area: 53.7 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 22
Formal charge: 0
Complexity: 303

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