Methyl 3-oxo-7-phenyl-2,4,10-trioxa-7-azaundecan-11-oate
Basic information
- CAS
19619-23-9- Standard SMILES
COC(=O)OCCN(CCOC(=O)OC)c1ccccc1- InChIKey
HVKZGWQNGBBGAB-UHFFFAOYSA-N- Molecular formula
- C14H19NO6
- Average molar mass
- 297.3 g/mol
- Monoisotopic mass
- 297.12123733
Names & identifiers
- Preferred name
- Methyl 3-oxo-7-phenyl-2,4,10-trioxa-7-azaundecan-11-oate
- IUPAC
- 2-[N-(2-methoxycarbonyloxyethyl)anilino]ethyl methyl carbonate
- English name
- methyl 3-oxo-7-phenyl-2,4,10-trioxa-7-azaundecan-11-oate
- Molecular formula
- C14H19NO6
- Molecular weight
- 297.3
Names & synonyms
Methyl 3-oxo-7-phenyl-2,4,10-trioxa-7-azaundecan-11-oate19619-23-9EINECS 243-189-72-[N-(2-methoxycarbonyloxyethyl)anilino]ethyl methyl carbonateM82DZ6PVA8SCHEMBL10768799DTXSID90173292HVKZGWQNGBBGAB-UHFFFAOYSA-NNS00026388Dimethyl (phenylazanediyl)di(ethane-2,1-diyl) biscarbonate2,8,10-Trioxa-5-azaundecanoic acid, 9-oxo-5-phenyl-, methyl ester5-Phenyl-2,8-dioxa-5-azanonanedioic acid dimethyl ester
Database identifiers
- CAS
19619-23-9- PubChem CID
- 88170
- DTXSID
DTXSID90173292- UNII
- M82DZ6PVA8
- EC Number
- 243-189-7
- Nikkaji
- J225.239B
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 74.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 295
Physicochemical properties
- Boiling point
- 395.3 · 395.3±27.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 4.32 · 4.32±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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