1-Butyl-3-(4-methoxyphenyl)urea
Basic information
- CAS
26849-50-3- Standard SMILES
CCCCNC(=O)Nc1ccc(OC)cc1- InChIKey
NHZDUGJWEDTOPV-UHFFFAOYSA-N- Molecular formula
- C12H18N2O2
- Average molar mass
- 222.28 g/mol
- Monoisotopic mass
- 222.13682782
Names & identifiers
- Preferred name
- 1-Butyl-3-(4-methoxyphenyl)urea
- IUPAC
- 1-butyl-3-(4-methoxyphenyl)urea
- English name
- 1-Butyl-3-(4-methoxyphenyl)urea
- Molecular formula
- C12H18N2O2
- Molecular weight
- 222.28
Names & synonyms
1-butyl-3-(4-methoxyphenyl)urea26849-50-3DTXSID00304176RefChem:229055DTXCID70255308NSC164437SCHEMBL10598972N-Butyl-N'-(4-methoxyphenyl)ureaAKOS005064202NSC-164437Urea, N-butyl-N'-(4-methoxyphenyl)-
Database identifiers
- CAS
26849-50-3- PubChem CID
- 295276
- DTXSID
DTXSID00304176
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 201
Physicochemical properties
- Boiling point
- 326.2 · 326.2±34.0 °C(Predicted)
- Density
- 1.085 · 1.085±0.06 g/cm3(Predicted)
- pka
- 14.2 · 14.20±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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