Basic information
- CAS
124099-19-0- Standard SMILES
C=CC(CCC(=O)O)NC(=O)OC(C)(C)C- InChIKey
UVHUXCMJPFOMEG-UHFFFAOYSA-N- Molecular formula
- C11H19NO4
- Average molar mass
- 229.27 g/mol
Names & identifiers
- Preferred name
- 5-Hexenoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-
- IUPAC
- 4-[(2-methylpropan-2-yl)oxycarbonylamino]hex-5-enoic acid
- English name
- 5-Hexenoic acid, 4-[[(1,1-diMethylethoxy)carbonyl]aMino]-
- Molecular formula
- C11H19NO4
- Molecular weight
- 229.27
Names & synonyms
124099-19-05-Hexenoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-4-{[(tert-butoxy)carbonyl]amino}hex-5-enoic acid4-((tert-Butoxycarbonyl)amino)hex-5-enoic acid4-[(2-methylpropan-2-yl)oxycarbonylamino]hex-5-enoic acid4-t-butoxycarbonylaminohex-5-enoic acidEN300-1589870
Database identifiers
- CAS
124099-19-0
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 268
Physicochemical properties
- Melting point
- 88.7 · 88.7-91.2 °C
- Boiling point
- 382.1 · 382.1±35.0 °C(Predicted)
- Density
- 1.078 · 1.078±0.06 g/cm3(Predicted)
- pka
- 4.63 · 4.63±0.10(Predicted)
Chemistry & industry
Suppliers2 total
西安彩晶光电科技股份有限公司029-88294447 029-88292246 029-88296135 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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