Urea, 1-allyl-3-(4-heptyl)-
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Basic information
- CAS
40755-07-5- Standard SMILES
C=CCNC(=O)NC(CCC)CCC- InChIKey
ZUQYRNJZPLAUMM-UHFFFAOYSA-N- Molecular formula
- C11H22N2O
- Average molar mass
- 198.31 g/mol
- Monoisotopic mass
- 198.17321333
Names & identifiers
- Preferred name
- Urea, 1-allyl-3-(4-heptyl)-
- IUPAC
- 1-heptan-4-yl-3-prop-2-enylurea
- English name
- 1-Allyl-3-(1-propylbutyl)urea
- Molecular formula
- C11H22N2O
- Molecular weight
- 198.31
Names & synonyms
Urea, 1-allyl-3-(4-heptyl)-40755-07-51-Allyl-3-(1-propylbutyl)urea1-Allyl-3-(4-heptyl)ureaBRN 2436712DTXSID90193738RefChem:387561DTXCID30116229N-(Heptan-4-yl)-N'-(prop-2-en-1-yl)ureaN-(2-Propenyl)-N'-(1-propylbutyl)ureaUrea, N-2-propen-1-yl-N'-(1-propylbutyl)-
Database identifiers
- CAS
40755-07-5- PubChem CID
- 218527
- DTXSID
DTXSID90193738- Nikkaji
- J49.064D
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- 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
- 163
Physicochemical properties
- Boiling point
- 335.1 · 335.1±21.0 °C(Predicted)
- Density
- 0.9 · 0.900±0.06 g/cm3(Predicted)
- pka
- 14.17 · 14.17±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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