N~1~,N~4~-Bis(3-carbamimidoylphenyl)benzene-1,4-dicarboxamide--hydrogen chloride (1/1)
Basic information
- CAS
5580-74-5- Standard SMILES
Cl.N=C(N)c1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(C(=N)N)c3)cc2)c1- InChIKey
IDCOZFINHAAZCH-UHFFFAOYSA-N- Molecular formula
- C22H21ClN6O2
- Average molar mass
- 436.9 g/mol
- Monoisotopic mass
- 436.1414516
Names & identifiers
- Preferred name
- N~1~,N~4~-Bis(3-carbamimidoylphenyl)benzene-1,4-dicarboxamide--hydrogen chloride (1/1)
- IUPAC
- 1-N,4-N-bis(3-carbamimidoylphenyl)benzene-1,4-dicarboxamide;hydrochloride
Names & synonyms
5580-74-5DTXSID50712742NSC55148NSC-55148N~1~,N~4~-Bis(3-carbamimidoylphenyl)benzene-1,4-dicarboxamide--hydrogen chloride (1/1)
Database identifiers
- CAS
5580-74-5- PubChem CID
- 54599372
- DTXSID
DTXSID50712742
Properties
Computed structural properties
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 602
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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