N(1),N(3)-Bis(4-(imino(methylamino)methyl)phenyl)-1,3-benzenedicarboximidamide
Basic information
- CAS
13239-45-7- Standard SMILES
CN=C(N)c1ccc(N=C(N)c2cccc(C(N)=Nc3ccc(C(N)=NC)cc3)c2)cc1- InChIKey
VTGCXWBEYAILBI-UHFFFAOYSA-N- Molecular formula
- C24H26N8
- Average molar mass
- 426.5 g/mol
- Monoisotopic mass
- 426.22804286
Names & identifiers
- Preferred name
- N(1),N(3)-Bis(4-(imino(methylamino)methyl)phenyl)-1,3-benzenedicarboximidamide
- IUPAC
- 1-N',3-N'-bis[4-(N'-methylcarbamimidoyl)phenyl]benzene-1,3-dicarboximidamide
Names & synonyms
13239-45-7NSC 66759N(1),N(3)-Bis(4-(imino(methylamino)methyl)phenyl)-1,3-benzenedicarboximidamideNSC66759N~1~,N~3~-Bis(4-(imino(methylamino)methyl)phenyl)-1,3-benzenedicarboximidamideCHEMBL1939331DTXSID70157515N1,N3-bis[4-(N-methylcarbamimidoyl)phenyl]benzene-1,3-dicarboxamidineN'~1~,N'~3~-Bis[4-(N'-methylcarbamimidoyl)phenyl]benzene-1,3-dicarboximidamide
Database identifiers
- CAS
13239-45-7- PubChem CID
- 415086
- DTXSID
DTXSID70157515- ChEMBL
CHEMBL1939331- Nikkaji
- J3.486.087D
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 664
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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