1-Butyl-3-(2,6-dimethylphenyl)urea
Basic information
- CAS
39143-71-0- Standard SMILES
CCCCNC(=O)Nc1c(C)cccc1C- InChIKey
SYSPPBFQNQIPGH-UHFFFAOYSA-N- Molecular formula
- C13H20N2O
- Average molar mass
- 220.31 g/mol
- Monoisotopic mass
- 220.15756327
Overview
See also: 1-Butyl-3-(2,6-xylyl)urea (annotation moved to).
Names & identifiers
- Preferred name
- 1-Butyl-3-(2,6-dimethylphenyl)urea
- IUPAC
- 1-butyl-3-(2,6-dimethylphenyl)urea
- English name
- 1-Butyl-3-(2,6-xylyl)urea
- Molecular formula
- C13H20N2O
- Molecular weight
- 220.3107
Names & synonyms
N-butyl-N'-(2,6-dimethylphenyl)urea39143-71-01-butyl-3-(2,6-dimethylphenyl)ureaNSC164172DTXSID80304098AKOS017084617NSC-1641721-Butyl-3-(2,6-xylyl)urea
Database identifiers
- CAS
39143-71-0- PubChem CID
- 295016
- DTXSID
DTXSID80304098
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 208
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · 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
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
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Related reactions
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Compound notes
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