Basic information
- CAS
6629-67-0- Standard SMILES
CCN(CC)Cc1c(C)cccc1OC(=O)c1ccc([N+](=O)[O-])cc1- InChIKey
UENIKQOBLVPUPA-UHFFFAOYSA-N- Molecular formula
- C19H22N2O4
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 342.15795719
Names & identifiers
- Preferred name
- 2-[(Diethylamino)methyl]-3-methylphenyl 4-nitrobenzoate
- IUPAC
- [2-(diethylaminomethyl)-3-methylphenyl] 4-nitrobenzoate
Names & synonyms
6629-67-02-[(diethylamino)methyl]-3-methylphenyl 4-nitrobenzoateNSC57986NCIOpen2_007479DTXSID80288889NSC-57986
Database identifiers
- CAS
6629-67-0- PubChem CID
- 245754
- DTXSID
DTXSID80288889
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 439
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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