2-(Diethylamino)ethyl 3-(benzyloxy)-4-methyl-2-nitrobenzoate
Basic information
- CAS
63879-20-9- Standard SMILES
CCN(CC)CCOC(=O)c1ccc(C)c(OCc2ccccc2)c1[N+](=O)[O-]- InChIKey
VFNZKSGJFPRMTN-UHFFFAOYSA-N- Molecular formula
- C21H26N2O5
- Average molar mass
- 386.4 g/mol
- Monoisotopic mass
- 386.18417193
Names & identifiers
- Preferred name
- 2-(Diethylamino)ethyl 3-(benzyloxy)-4-methyl-2-nitrobenzoate
- IUPAC
- 2-(diethylamino)ethyl 4-methyl-2-nitro-3-phenylmethoxybenzoate
Names & synonyms
63879-20-9NSC1552472-(diethylamino)ethyl 3-(benzyloxy)-4-methyl-2-nitrobenzoateDTXSID30302923AG-K-20001NSC-155247
Database identifiers
- CAS
63879-20-9- PubChem CID
- 290832
- DTXSID
DTXSID30302923
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 84.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 486
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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