Basic information
- CAS
1180492-96-9- Standard SMILES
COCCCNC(=O)NCCCCCCn1c(=O)n(CCCCCCNC(=O)NCCCOC)c(=O)n(CCCCCCNC(=O)NCCCOC)c1=O- InChIKey
TXINHSWZFGGBDI-UHFFFAOYSA-N- Molecular formula
- C36H69N9O9
- Average molar mass
- 772 g/mol
- Monoisotopic mass
- 771.52182481
Names & identifiers
- Preferred name
- N,N'',N''''-[(2,4,6-Trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tri-6,1-hexanediyl]tris[N'-(3-methoxypropyl)urea]
- IUPAC
- 1-[6-[3,5-bis[6-(3-methoxypropylcarbamoylamino)hexyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl]-3-(3-methoxypropyl)urea
Names & synonyms
1180492-96-9N,N'',N''''-((2,4,6-Trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tri-6,1-hexanediyl)tris(N'-(3-methoxypropyl)urea)N,N'',N''''-[(2,4,6-Trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tri-6,1-hexanediyl]tris[N'-(3-methoxypropyl)urea]RefChem:358257DTXSID601107243N,Na(2)a(2),Na(2)a(2)a(2)a(2)-[(2,4,6-Trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tri-6,1-hexanediyl]tris[Na(2)-(3-methoxypropyl)urea]
Database identifiers
- CAS
1180492-96-9- PubChem CID
- 165367299
- DTXSID
DTXSID601107243
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 212 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 33
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 918
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationUrea, N,N'',N''''-[(2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tri-6,1-hexanediyl]tris[N'-(3-methoxypropyl)-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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