Urea, 1-(4-heptyl)-3-propyl-
Basic information
- CAS
40755-05-3- Standard SMILES
CCCNC(=O)NC(CCC)CCC- InChIKey
XJZUGONYGQDTEK-UHFFFAOYSA-N- Molecular formula
- C11H24N2O
- Average molar mass
- 200.32 g/mol
- Monoisotopic mass
- 200.18886339
Names & identifiers
- Preferred name
- Urea, 1-(4-heptyl)-3-propyl-
- IUPAC
- 1-heptan-4-yl-3-propylurea
- English name
- 1-(1-Propylbutyl)-3-propylurea
- Molecular formula
- C11H24N2O
- Molecular weight
- 200.32
Names & synonyms
Urea, 1-(4-heptyl)-3-propyl-1-(4-Heptyl)-3-propylureaBRN 24359383-Propyl-1-(1-propylbutyl)urea40755-05-3DTXSID30193737RefChem:387476DTXCID70116228N-(Heptan-4-yl)-N'-propylurea1-(1-Propylbutyl)-3-propylureaN-Propyl-N'-(1-propylbutyl)ureaUrea, N-propyl-N'-(1-propylbutyl)-
Database identifiers
- CAS
40755-05-3- PubChem CID
- 218526
- DTXSID
DTXSID30193737- Nikkaji
- J48.937I
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 142
Physicochemical properties
- Boiling point
- 334.9 · 334.9±11.0 °C(Predicted)
- Density
- 0.889 · 0.889±0.06 g/cm3(Predicted)
- pka
- 14.32 · 14.32±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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