Basic information
- CAS
40755-04-2- Standard SMILES
CCCC(CCC)NC(=O)NC- InChIKey
GPPQBUWPSSTQRJ-UHFFFAOYSA-N- Molecular formula
- C9H20N2O
- Average molar mass
- 172.27 g/mol
- Monoisotopic mass
- 172.15756327
Names & identifiers
- Preferred name
- Urea, 1-(4-heptyl)-3-methyl-
- IUPAC
- 1-heptan-4-yl-3-methylurea
- English name
- 1-(1-Propylbutyl)-3-methylurea
- Molecular formula
- C9H20N2O
- Molecular weight
- 172.27
Names & synonyms
Urea, 1-(4-heptyl)-3-methyl-3-Methyl-1-(1-propylbutyl)urea1-(4-Heptyl)-3-methylurea40755-04-2BRN 2432341DTXSID70193736RefChem:387474DTXCID10116227SCHEMBL7008486N-(Heptan-4-yl)-N'-methylurea1-(1-Propylbutyl)-3-methylureaN-Methyl-N'-(1-propylbutyl)urea
Show more names
Urea, N-methyl-N'-(1-propylbutyl)-
Database identifiers
- CAS
40755-04-2- PubChem CID
- 218525
- DTXSID
DTXSID70193736- Nikkaji
- J48.939E
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 120
Physicochemical properties
- Boiling point
- 304.2 · 304.2±11.0 °C(Predicted)
- Density
- 0.896 · 0.896±0.06 g/cm3(Predicted)
- pka
- 14.46 · 14.46±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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