Basic information
- CAS
85022-88-4- Standard SMILES
CC(O)CNc1nc(NCC(C)O)nc(NCC(C)O)n1- InChIKey
SVNADNJIMOCOPK-UHFFFAOYSA-N- Molecular formula
- C12H24N6O3
- Average molar mass
- 300.36 g/mol
- Monoisotopic mass
- 300.19098865
Names & identifiers
- Preferred name
- 2-Propanol, 1,1',1''-(1,3,5-triazine-2,4,6-triyltriimino)tris-
- IUPAC
- 1-[[4,6-bis(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-2-ol
Names & synonyms
85022-88-42-Propanol, 1,1',1''-(1,3,5-triazine-2,4,6-triyltriimino)tris-SCHEMBL8466516DTXSID30868852SVNADNJIMOCOPK-UHFFFAOYSA-N1,1',1''-(1,3,5-Triazine-2,4,6-triyltriazanediyl)tri(propan-2-ol)1,1',1''-[1,3,5-Triazine-2,4,6-triyltris(azanediyl)]tri(propan-2-ol)
Database identifiers
- CAS
85022-88-4- PubChem CID
- 13628675
- DTXSID
DTXSID30868852
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 231
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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