Basic information
- CAS
62979-91-3- Standard SMILES
CCCOc1ccc(C(N)=[NH+]CC[NH+](CC)CC)cc1.[Cl-].[Cl-]- InChIKey
WZKCSQQZPPLSPP-UHFFFAOYSA-N- Molecular formula
- C16H29Cl2N3O
- Average molar mass
- 350.3 g/mol
- Monoisotopic mass
- 349.1687679
Names & identifiers
- Preferred name
- Benzamidine, N-(2-diethylaminoethyl)-4-propoxy-, dihydrochloride
- IUPAC
- 2-[amino-(4-propoxyphenyl)methylidene]azaniumylethyl-diethylazanium dichloride
Names & synonyms
PPR 492N-(2-Diethylaminoethyl)-4-propoxybenzamidine dihydrochlorideBENZAMIDINE, N-(2-DIETHYLAMINOETHYL)-4-PROPOXY-, DIHYDROCHLORIDEBenzenecarboximidamide, N-(2-(diethylamino)ethyl)-4-propoxy-, dihydrochloride62979-91-3RefChem:322650Benzenecarboximidamide, N-(2-(diethylamino)ethyl)-4-propoxy-, dihydrochloride (9CI)
Database identifiers
- CAS
62979-91-3- PubChem CID
- 44243
Properties
Computed structural properties
- Topological polar surface area
- 53.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 269
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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