N'~1~,N'~4~-Diethyl-N'~1~,N'~4~-bis[4-(N-ethyl-N'-methylcarbamimidoyl)phenyl]benzene-1,4-dicarboximidamide--hydrogen chloride (1/1)
Basic information
- CAS
13836-45-8- Standard SMILES
CCN=C(Nc1ccc(C(=NC)NCC)cc1)c1ccc(C(=NCC)Nc2ccc(C(=NC)NCC)cc2)cc1.Cl- InChIKey
PCOWXUAZGNLAHM-UHFFFAOYSA-N- Molecular formula
- C32H43ClN8
- Average molar mass
- 575.2 g/mol
- Monoisotopic mass
- 574.3299211
Names & identifiers
- Preferred name
- N'~1~,N'~4~-Diethyl-N'~1~,N'~4~-bis[4-(N-ethyl-N'-methylcarbamimidoyl)phenyl]benzene-1,4-dicarboximidamide--hydrogen chloride (1/1)
- IUPAC
- 1-N',4-N'-diethyl-1-N,4-N-bis[4-(N-ethyl-N'-methylcarbamimidoyl)phenyl]benzene-1,4-dicarboximidamide;hydrochloride
Names & synonyms
13836-45-8DTXSID30712563NSC57156NSC-57156N'~1~,N'~4~-Diethyl-N'~1~,N'~4~-bis[4-(N-ethyl-N'-methylcarbamimidoyl)phenyl]benzene-1,4-dicarboximidamide--hydrogen chloride (1/1)DS-011950N1,N4-diethyl-N1,N4-bis[4-(N-ethyl-N-methyl-carbamimidoyl)phenyl]benzene-1,4-dicarboximidamide
Database identifiers
- CAS
13836-45-8- PubChem CID
- 54598809
- DTXSID
DTXSID30712563
Properties
Computed structural properties
- Topological polar surface area
- 97.6 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 14
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 769
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Related reactions
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Compound notes
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