Basic information
- CAS
5460-80-0- Standard SMILES
COC(=O)C(c1ccccc1)N1CCCCCC1- InChIKey
GMVWLPCRWKVKHO-UHFFFAOYSA-N- Molecular formula
- C15H21NO2
- Average molar mass
- 247.33 g/mol
- Monoisotopic mass
- 247.15722891
Names & identifiers
- Preferred name
- Methyl 2-(azepan-1-YL)-2-phenyl-acetate
- IUPAC
- methyl 2-(azepan-1-yl)-2-phenylacetate
Names & synonyms
methyl 2-(azepan-1-yl)-2-phenylacetateMETHYL 2-(AZEPAN-1-YL)-2-PHENYL-ACETATE5460-80-0CBMicro_021053CHEMBL1626370DTXSID20328339Methyl (azepan-1-yl)(phenyl)acetateAKOS022113457
Database identifiers
- CAS
5460-80-0- PubChem CID
- 409472
- DTXSID
DTXSID20328339- ChEMBL
CHEMBL1626370
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 253
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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