N-(2,4-dimethylbenzyl)-N'-phenylurea
Basic information
- CAS
92277-83-3- Standard SMILES
Cc1ccc(CNC(=O)Nc2ccccc2)c(C)c1- InChIKey
JBPIUKOTCREPNU-UHFFFAOYSA-N- Molecular formula
- C16H18N2O
- Average molar mass
- 254.33 g/mol
- Monoisotopic mass
- 254.1419132
Overview
See also: 1-(2,4-Dimethylbenzyl)-3-phenylurea (annotation moved to).
Names & identifiers
- Preferred name
- N-(2,4-dimethylbenzyl)-N'-phenylurea
- IUPAC
- 1-[(2,4-dimethylphenyl)methyl]-3-phenylurea
- English name
- 1-(2,4-Dimethylbenzyl)-3-phenylurea
- Molecular formula
- C16H18N2O
- Molecular weight
- 254.33
Names & synonyms
92277-83-31-(2,4-Dimethylbenzyl)-3-phenylureaNSC205455N-(2,4-dimethylbenzyl)-N'-phenylureaMLS001170848CHEMBL1557226DTXSID60308615HMS2896C09AKOS001023706NSC-205455SMR000596458N-[(2,4-Dimethylphenyl)methyl]-N'-phenylurea
Show more names
Urea, N-[(2,4-dimethylphenyl)methyl]-N'-phenyl-
Z56757259T0400-4163
Database identifiers
- CAS
92277-83-3- PubChem CID
- 307350
- DTXSID
DTXSID60308615- ChEMBL
CHEMBL1557226
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 286
Experimental & physicochemical properties
Solubility0.7 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 198 · 198-200 °C(Solv: ethanol (64-17-5); water (7732-18-5))
- Boiling point
- 398.6 · 398.6±42.0 °C(Predicted)
- Density
- 1.132 · 1.132±0.06 g/cm3(Predicted)
- pka
- 12.08 · 12.08±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400-H319-H302
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P273-P391-P501-P264-P270-P301+P312-P330-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
- H400-H319-H302
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P273-P391-P501-P264-P270-P301+P312-P330-P501
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Related reactions
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Compound notes
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