Basic information
- CAS
5455-61-8- Standard SMILES
CC(=O)OC(C)C(=O)NC(C)(C)CC(C)(C)C- InChIKey
CFWQOMWFLLALKD-UHFFFAOYSA-N- Molecular formula
- C13H25NO3
- Average molar mass
- 243.34 g/mol
- Monoisotopic mass
- 243.18344366
Names & identifiers
- Preferred name
- 1-Oxo-1-[(2,4,4-trimethylpentan-2-yl)amino]propan-2-yl acetate
- IUPAC
- [1-oxo-1-(2,4,4-trimethylpentan-2-ylamino)propan-2-yl] acetate
Names & synonyms
5455-61-81-oxo-1-[(2,4,4-trimethylpentan-2-yl)amino]propan-2-yl acetateNSC23464DTXSID10281909NSC 23464NSC-23464
Database identifiers
- CAS
5455-61-8- PubChem CID
- 229643
- DTXSID
DTXSID10281909
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 290
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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