Basic information
- CAS
6300-12-5- Standard SMILES
COc1ccc(N=Nc2cc(OC)c(N)cc2OC)cc1- InChIKey
KMJBPEQRGGCBKU-UHFFFAOYSA-N- Molecular formula
- C15H17N3O3
- Average molar mass
- 287.31 g/mol
- Monoisotopic mass
- 287.12699141
Names & identifiers
- Preferred name
- 2,5-Dimethoxy-4-[(e)-(4-methoxyphenyl)diazenyl]aniline
- IUPAC
- 2,5-dimethoxy-4-[(4-methoxyphenyl)diazenyl]aniline
Names & synonyms
MLS0026087076300-12-52,5-dimethoxy-4-[(e)-(4-methoxyphenyl)diazenyl]anilineNSC45531CHEMBL1698835SCHEMBL10868312SCHEMBL11433760DTXSID70286410KMJBPEQRGGCBKU-UHFFFAOYSA-NHMS3080F23NSC-45531SMR001527451
Database identifiers
- CAS
6300-12-5- PubChem CID
- 239840
- DTXSID
DTXSID70286410- ChEMBL
CHEMBL1698835- Nikkaji
- J60.182I
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 332
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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