Basic information
- CAS
89307-23-3- Standard SMILES
CCCCCCNC(=O)NCCCCCCNC(=O)NCCCCCC- InChIKey
RIQWMBYGUHQQOS-UHFFFAOYSA-N- Molecular formula
- C20H42N4O2
- Average molar mass
- 370.6 g/mol
- Monoisotopic mass
- 370.3307766
Names & identifiers
- Preferred name
- N,N''-hexane-1,6-diylbis[N'-hexylurea]
- IUPAC
- 1-hexyl-3-[6-(hexylcarbamoylamino)hexyl]urea
- English name
- N,N''-hexane-1,6-diylbis[N'-hexylurea]
- Molecular formula
- C20H42N4O2
- Molecular weight
- 370.57
Names & synonyms
89307-23-3N,N''-Hexane-1,6-diylbis(N'-hexylurea)N,N''-Hexane-1,6-diylbis[N'-hexylurea]EINECS 289-486-5DTXSID80237610RefChem:821569DTXCID30160101289-486-5H6T3KQF3GRSCHEMBL5053897STK443621AKOS003242550
Show more names
N,N''-1,6-hexanediylbis[N'-hexyl-Urea]
CCG-3570041,1'-hexane-1,6-diylbis(3-hexylurea)N,N''-1,6-Hexanediylbis[N'-hexylurea]N,N'-Hexane-1,6-diylbis(N'-hexylurea)1,1'-(hexane-1,6-diyl)bis(3-hexylurea)NS00022868ST50927269Urea, N,N''-1,6-hexanediylbis[N'-hexyl-
Database identifiers
- CAS
89307-23-3- PubChem CID
- 3616616
- DTXSID
DTXSID80237610- UNII
- H6T3KQF3GR
- EC Number
- 289-486-5
- Nikkaji
- J348.581A
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 82.3 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 17
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 306
Physicochemical properties
- Boiling point
- 590.4 · 590.4±33.0 °C(Predicted)
- Density
- 0.954 · 0.954±0.06 g/cm3(Predicted)
- pka
- 14.42 · 14.42±0.46(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (104 of 104) of all reports.
Not Classified
Aggregated GHS information provided per 104 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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