Basic information
- CAS
78279-15-9- Standard SMILES
COC1=CC(=Nc2ccc(N)cc2C)C(=N)C=C1N- InChIKey
RQKGUOMWLXIJEN-UHFFFAOYSA-N- Molecular formula
- C14H16N4O
- Average molar mass
- 256.3 g/mol
- Monoisotopic mass
- 256.13241115
Names & identifiers
- Preferred name
- 2-Amino-5-methoxy-2'(or 3')-methylindiamine
- IUPAC
- 4-(4-amino-2-methylphenyl)imino-3-imino-6-methoxycyclohexa-1,5-dien-1-amine
Names & synonyms
2-Amino-5-methoxy-2'(or 3')-methylindiamine1,4-Benzenediamine, N-(2-amino-4-imino-5-methoxy-2,5-cyclohexadien-1-ylidene)-ar-methyl-78279-15-9
Database identifiers
- CAS
78279-15-9- PubChem CID
- 3036765
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 97.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 464
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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