1,3-Bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]urea
Basic information
- CAS
159390-20-2- Standard SMILES
CC1(C)OCC(CNC(=O)NCC2COC(C)(C)O2)O1- InChIKey
RPNILTMIKUTCIE-UHFFFAOYSA-N- Molecular formula
- C13H24N2O5
- Average molar mass
- 288.34 g/mol
- Monoisotopic mass
- 288.16852187
Names & identifiers
- Preferred name
- 1,3-Bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]urea
- IUPAC
- 1,3-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]urea
- English name
- 1,3-Bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]urea
- Molecular formula
- C13H24N2O5
- Molecular weight
- 288.34
Names & synonyms
159390-20-21,3-Bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]urea1,3-bis((2,2-dimethyl-1,3-dioxolan-4-yl)methyl)ureaUrea, N,N'-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-SCHEMBL16535894DTXSID00403431AKOS015913039N,N'-Bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]urea
Database identifiers
- CAS
159390-20-2- PubChem CID
- 4452237
- DTXSID
DTXSID00403431
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 327
Physicochemical properties
- Boiling point
- 440 · 440.0±30.0 °C(Predicted)
- Density
- 1.095 · 1.095±0.06 g/cm3(Predicted)
- pka
- 13.19 · 13.19±0.46(Predicted)
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
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Related reactions
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Compound notes
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