Basic information
- CAS
4088-87-3- Standard SMILES
COc1ccc(CCNc2ncnc(N)n2)cc1OC- InChIKey
FZDACSDOZMWXMC-UHFFFAOYSA-N- Molecular formula
- C13H17N5O2
- Average molar mass
- 275.31 g/mol
- Monoisotopic mass
- 275.1382248
Names & identifiers
- Preferred name
- 1,3,5-Triazine-2,4-diamine, N-(2-(3,4-dimethoxyphenyl)ethyl)-
- IUPAC
- 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine
Names & synonyms
2-Homoveratrylamino-6-aminotriazine4088-87-3N-(2-(3,4-Dimethoxyphenyl)ethyl)-1,3,5-triazine-2,4-diamine1,3,5-Triazine-2,4-diamine, N-(2-(3,4-dimethoxyphenyl)ethyl)-RefChem:217394DTXSID20961280N~2~-[2-(3,4-Dimethoxyphenyl)ethyl]-1,3,5-triazine-2,4(1H,3H)-diimine
Database identifiers
- CAS
4088-87-3- PubChem CID
- 199387
- DTXSID
DTXSID20961280
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 281
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…