2,2'-{Propane-1,3-diylbis[(1e)-3-methyltriaz-1-ene-3,1-diyl]}dibenzoic acid
Basic information
- CAS
49638-62-2- Standard SMILES
CN(CCCN(C)N=Nc1ccccc1C(=O)O)N=Nc1ccccc1C(=O)O- InChIKey
LLWSHWXPHQQTEL-UHFFFAOYSA-N- Molecular formula
- C19H22N6O4
- Average molar mass
- 398.4 g/mol
- Monoisotopic mass
- 398.1702532
Names & identifiers
- Preferred name
- 2,2'-{Propane-1,3-diylbis[(1e)-3-methyltriaz-1-ene-3,1-diyl]}dibenzoic acid
- IUPAC
- 2-[[3-[[(2-carboxyphenyl)diazenyl]-methylamino]propyl-methylamino]diazenyl]benzoic acid
Names & synonyms
49638-62-22,2'-{propane-1,3-diylbis[(1e)-3-methyltriaz-1-ene-3,1-diyl]}dibenzoic acidNSC159858DTXSID20303666NSC-159858DS-0128222-[3-[(2-carboxyphenyl)diazenyl-methyl-amino]propyl-methyl-amino]diazenylbenzoic acid
Database identifiers
- CAS
49638-62-2- PubChem CID
- 293335
- DTXSID
DTXSID20303666
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 549
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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