Basic information
- CAS
53790-49-1- Standard SMILES
CCCCCCCCCCCCNc1nc(N)nc(NCCCCCCCCCCCC)n1- InChIKey
TZWOBTBQHFEZCD-UHFFFAOYSA-N- Molecular formula
- C27H54N6
- Average molar mass
- 462.8 g/mol
- Monoisotopic mass
- 462.44099575
Names & identifiers
- Preferred name
- N~2~,N~4~-Didodecyl-1,3,5-triazine-2,4,6-triamine
- IUPAC
- 2-N,4-N-didodecyl-1,3,5-triazine-2,4,6-triamine
Names & synonyms
53790-49-1DTXSID00632648N~2~,N~4~-Didodecyl-1,3,5-triazine-2,4,6-triamineRefChem:366126DTXCID60583400SCHEMBL80500644-amino-2,6-didodecylamino-1,3,5-triazine
Database identifiers
- CAS
53790-49-1- PubChem CID
- 23295147
- DTXSID
DTXSID00632648- Nikkaji
- J825.759K
Properties
Computed structural properties
- XLogP
- 11.4
- Topological polar surface area
- 88.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 24
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 361
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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