Basic information
- CAS
537-51-9- Standard SMILES
CN=C(N)c1ccc(N=C(N)c2ccc(C(N)=Nc3ccc(C(N)=NC)cc3)cc2)cc1- InChIKey
VQQQRERMPYGZGF-UHFFFAOYSA-N- Molecular formula
- C24H26N8
- Average molar mass
- 426.5 g/mol
- Monoisotopic mass
- 426.22804286
Names & identifiers
- Preferred name
- N',N'''-Bis(p-(methylamidino)phenyl)terephthalamidine
- IUPAC
- 1-N',4-N'-bis[4-(N'-methylcarbamimidoyl)phenyl]benzene-1,4-dicarboximidamide
- English name
- 1,4-Diamidinobenzene
- Molecular formula
- C24H26N8
- Molecular weight
- 426.52
Names & synonyms
N',N'''-Bis(p-(methylamidino)phenyl)terephthalamidine537-51-9UNII-7071M27DUH7071M27DUHCHEMBL1939329DTXSID002019591-N',4-N'-bis[4-(N'-methylcarbamimidoyl)phenyl]benzene-1,4-dicarboximidamideNCI60_004399Q272658411,4-BENZENEDICARBOXIMIDAMIDE, N1,N4-BIS(4-(IMINO(METHYLAMINO)METHYL)PHENYL)-N'~1~,N'~4~-Bis[4-(N'-methylcarbamimidoyl)phenyl]benzene-1,4-dicarboximidamideNCI 57155
Show more names
1,4-Benzenedicarboximidamide, N1,N4-bis[4-[imino(methylamino)methyl]phenyl]-
Database identifiers
- CAS
537-51-9- PubChem CID
- 23541
- DTXSID
DTXSID00201959- ChEMBL
CHEMBL1939329- UNII
- 7071M27DUH
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
- 654
Physicochemical properties
- FDA UNII
- 7071 M27DUH · 7071M27DUH
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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