1-(1-Hydroxybutan-2-yl)-3-(4-methoxyphenyl)urea
Basic information
- CAS
87919-33-3- Standard SMILES
CCC(CO)NC(=O)Nc1ccc(OC)cc1- InChIKey
FUDJIZTYMVEDDF-UHFFFAOYSA-N- Molecular formula
- C12H18N2O3
- Average molar mass
- 238.28 g/mol
- Monoisotopic mass
- 238.13174244
Names & identifiers
- Preferred name
- 1-(1-Hydroxybutan-2-yl)-3-(4-methoxyphenyl)urea
- IUPAC
- 1-(1-hydroxybutan-2-yl)-3-(4-methoxyphenyl)urea
- English name
- Urea, N-[1-(hydroxymethyl)propyl]-N'-(4-methoxyphenyl)-
- Molecular formula
- C12H18N2O3
- Molecular weight
- 238.28
Names & synonyms
1-(1-hydroxybutan-2-yl)-3-(4-methoxyphenyl)urea87919-33-3SCHEMBL3075693DTXSID101007868AKOS005832402N-[1-(hydroxymethyl)propyl]-N'-(4-methoxyphenyl)ureaZ104752598N'-(1-Hydroxybutan-2-yl)-N-(4-methoxyphenyl)carbamimidic acid1-(1-HYDROXYMETHYL-PROPYL)-3-(4-METHOXY-PHENYL)-UREAUrea, N-[1-(hydroxymethyl)propyl]-N'-(4-methoxyphenyl)-
Database identifiers
- CAS
87919-33-3- PubChem CID
- 187657
- DTXSID
DTXSID101007868- EC Number
- 159-653-6
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 70.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 228
Physicochemical properties
- Boiling point
- 378.8 · 378.8±42.0 °C(Predicted)
- Density
- 1.175 · 1.175±0.06 g/cm3(Predicted)
- pka
- 13.26 · 13.26±0.46(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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