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

HCID 52213

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Basic information

CAS: 73688-82-1
Standard SMILES: COc1ccc(C(N)=[NH+]CC[NH+]2CCCC2)cc1.[Cl-].[Cl-]
InChIKey: GGRMYPUJUNYEFV-UHFFFAOYSA-N
Molecular formula: C14H23Cl2N3O
Average molar mass: 320.3 g/mol
Monoisotopic mass: 319.1218178

Names & identifiers

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

Names & synonyms

4-Methoxy-N-(2-(1-pyrrolidinyl)ethyl)benzamidine dihydrochloride hydrate73688-82-1BENZAMIDINE, 4-METHOXY-N-(2-(1-PYRROLIDINYL)ETHYL)-, DIHYDROCHLORIDE, HYDRATERefChem:322634

Database identifiers

CAS: 73688-82-1
PubChem CID: 52213

Properties

Computed structural properties

Topological polar surface area: 53.7 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 20
Formal charge: 0
Complexity: 266

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