Urea, 1-tert-butyl-3-(m-hydroxyphenyl)-, tert-butylcarbamate (ester)
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Basic information
- CAS
73953-68-1- Standard SMILES
CC(C)(C)NC(=O)Nc1cccc(OC(=O)NC(C)(C)C)c1- InChIKey
MGBUMPMAIGRFDY-UHFFFAOYSA-N- Molecular formula
- C16H25N3O3
- Average molar mass
- 307.39 g/mol
- Monoisotopic mass
- 307.18959167
Names & identifiers
- Preferred name
- Urea, 1-tert-butyl-3-(m-hydroxyphenyl)-, tert-butylcarbamate (ester)
- IUPAC
- [3-(tert-butylcarbamoylamino)phenyl] N-tert-butylcarbamate
- English name
- 1-tert-Butyl-3-(m-hydroxyphenyl)urea tert-butylcarbamate
- Molecular formula
- C16H25N3O3
- Molecular weight
- 307.39
Names & synonyms
73953-68-1CW3QS47105NSC-222542Urea, 1-tert-butyl-3-(m-hydroxyphenyl)-, tert-butylcarbamate (ester)Carbamic acid, (1,1-dimethylethyl)-, 3-((((1,1-dimethylethyl)amino)carbonyl)amino)phenyl esterRefChem:11007931-tert-Butyl-3-(m-hydroxyphenyl)urea tert-butylcarbamatem-(3-tert-Butylureido)phenyl tert-buthylcarbamate3-(3-(tert-Butyl)ureido)phenyl tert-butylcarbamateUrea, 1-tert-butyl-3-(m-hydroxyphenyl)-, tert-butylcarbamateNSC 222542NSC222542
Show more names
Carbamic acid, (1,1-dimethylethyl)-, 3-[[[(1,1-dimethylethyl)amino]carbonyl]amino]phenyl ester (9CI)
UNII-CW3QS47105[3-(tert-butylcarbamoylamino)phenyl] N-tert-butylcarbamateDTXSID90995178Carbamic acid,1-dimethylethyl)-, 3-[[[(1,1-dimethylethyl)amino]carbonyl]amino]phenyl esterN-tert-Butyl-N'-{3-[(tert-butylimino)(hydroxy)methoxy]phenyl}carbamimidic acid
Database identifiers
- CAS
73953-68-1- PubChem CID
- 99431
- DTXSID
DTXSID90995178- UNII
- CW3QS47105
- Nikkaji
- J83.832B
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 396
Physicochemical properties
- Boiling point
- 396 · 396.0±38.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 12.2 · 12.20±0.46(Predicted)
- FDA UNII
- 3 QS47105 · CW3QS47105
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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