1,2,4-Benzenetriamine, N(sup 1)-(p-aminophenyl)-5-methoxy-
Basic information
- CAS
100311-04-4- Standard SMILES
COc1cc(Nc2ccc(N)cc2)c(N)cc1N- InChIKey
ZDYUYQQWCTUOCQ-UHFFFAOYSA-N- Molecular formula
- C13H16N4O
- Average molar mass
- 244.29 g/mol
- Monoisotopic mass
- 244.13241115
Names & identifiers
- Preferred name
- 1,2,4-Benzenetriamine, N(sup 1)-(p-aminophenyl)-5-methoxy-
- IUPAC
- 1-N-(4-aminophenyl)-5-methoxybenzene-1,2,4-triamine
Names & synonyms
1,2,4-Benzenetriamine, N(sup 1)-(p-aminophenyl)-5-methoxy-100311-04-42-Amino-5-methoxyindamineDTXSID80143146N~1~-(4-Aminophenyl)-5-methoxybenzene-1,2,4-triamine
Database identifiers
- CAS
100311-04-4- PubChem CID
- 3063261
- DTXSID
DTXSID80143146- Nikkaji
- J62.216H
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 99.3 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 255
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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