Basic information
- CAS
6399-55-9- Standard SMILES
CN=C(NC)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(=NC)NC)c(C)c3)cc2)cc1C- InChIKey
GKFDFADCUKURFK-UHFFFAOYSA-N- Molecular formula
- C28H32N6O2
- Average molar mass
- 484.6 g/mol
- Monoisotopic mass
- 484.25867428
Names & identifiers
- Preferred name
- N(1),N(4)-Bis(3-methyl-4-((methylamino)(methylimino)methyl)phenyl)terephthalamide
- IUPAC
- 1-N,4-N-bis[4-(N,N'-dimethylcarbamimidoyl)-3-methylphenyl]benzene-1,4-dicarboxamide
Names & synonyms
6399-55-9NSC61617NSC 61617N(1),N(4)-Bis(3-methyl-4-((methylamino)(methylimino)methyl)phenyl)terephthalamideDTXSID10213927NSC-61617m-Terephthalotoluidide,4''-bis(N,N'-dimethylamidino)-m-Terephthalotoluidide, 4',4''-bis(N,N'-dimethylamidino)-N~1~,N~4~-Bis(3-methyl-4-((methylamino)(methylimino)methyl)phenyl)terephthalamideN~1~,N~4~-Bis[4-(N,N'-dimethylcarbamimidoyl)-3-methylphenyl]benzene-1,4-dicarboxamideN1,N4-bis[4-[(Z)-N,N'-dimethylcarbamimidoyl]-3-methyl-phenyl]terephthalamide
Database identifiers
- CAS
6399-55-9- PubChem CID
- 247232
- DTXSID
DTXSID10213927
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 738
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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