| Phytochemical Name : tert-Butylurea |
| PCNDIDT0028 |
| Pubchem CID : 14233 |
| Molecular formula: C5H12N2O |
| Canonical SMILES : CC(C)(C)NC(=O)N |
Synonymes : tert-Butylurea|N-tert-Butylurea|1118-12-3|(1,1-Dimethylethyl)urea|1-tert-Butylurea|UREA, tert-BUTYL-|Urea, (1,1-dimethylethyl)-|tert-butyl urea|Urea, N-(1,1-dimethylethyl)-|NSC 4604|EINECS 214-257-3|BRN 1744501|N-(1,1-dimethylethyl)urea|T81TP489AF|DTXSID0044365|Tert-Butylurea; N-tert-Butylurea|NSC-4604|MFCD00025448|4-04-00-00665 (Beilstein Handbook Reference)|t-butylurea|NSC4604|tert-butyl isourea|N-(tert-butyl)urea|1-(Tert-butyl)urea|Urea,1-dimethylethyl)-|UNII-T81TP489AF|SCHEMBL23828|CHEMBL3184658|DTXCID8024365|SCHEMBL17011644|N-tert-Butylurea, >=97.0%|Tox21_302081|AKOS000120185|NCGC00255818-01|CAS-1118-12-3|LS-159226|CS-0329615|FT-0633346|A802416|J-002633|Z104473904 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.120 |
| Log Po/w (XLOGP3) : -0.050 |
| Log Po/w (WLOGP) : 0.450 |
| Log Po/w (MLOGP) : 0.420 |
| Log Po/w (SILICOS-IT) : -0.700 |
| Consensus Log Po/w : 0.250 |