1,1-Dibenzyl-3-(4-bromophenyl)urea
Basic information
- CAS
86764-45-6- Standard SMILES
O=C(Nc1ccc(Br)cc1)N(Cc1ccccc1)Cc1ccccc1- InChIKey
MZROMVVPYOBXDS-UHFFFAOYSA-N- Molecular formula
- C21H19BrN2O
- Average molar mass
- 395.3 g/mol
- Monoisotopic mass
- 394.06808
Overview
See also: 3-(4-Bromophenyl)-1,1-dibenzylurea (annotation moved to).
Names & identifiers
- Preferred name
- 1,1-Dibenzyl-3-(4-bromophenyl)urea
- IUPAC
- 1,1-dibenzyl-3-(4-bromophenyl)urea
- English name
- 3-(4-Bromophenyl)-1,1-dibenzylurea
- Molecular formula
- C21H19BrN2O
- Molecular weight
- 395.29
Names & synonyms
1,1-dibenzyl-3-(4-bromophenyl)urea86764-45-6N,N-dibenzyl-N'-(4-bromophenyl)ureaCHEMBL74957SCHEMBL29140894DTXSID90403460AKOS0244306103-(4-Bromophenyl)-1,1-dibenzylureaUrea, N'-(4-bromophenyl)-N,N-bis(phenylmethyl)-
Database identifiers
- CAS
86764-45-6- PubChem CID
- 4454830
- DTXSID
DTXSID90403460- ChEMBL
CHEMBL74957
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 377
Physicochemical properties
- Boiling point
- 579.8 · 579.8±50.0 °C(Predicted)
- Density
- 1.392 · 1.392±0.06 g/cm3(Predicted)
- pka
- 14.13 · 14.13±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 317 · H317-H410
- Precautionary statements
- 273 · P273-P391-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H317-H410
- Precautionary statements
- P273-P391-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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