Basic information
- CAS
39943-25-4- Standard SMILES
CN(C)CC(C)(C)COC(=O)c1ccc([N+](=O)[O-])cc1- InChIKey
SDTDYDWDKLDYKB-UHFFFAOYSA-N- Molecular formula
- C14H20N2O4
- Average molar mass
- 280.32 g/mol
- Monoisotopic mass
- 280.14230712
Names & identifiers
- Preferred name
- 3-(Dimethylamino)-2,2-dimethylpropyl 4-nitrobenzoate
- IUPAC
- [3-(dimethylamino)-2,2-dimethylpropyl] 4-nitrobenzoate
Names & synonyms
39943-25-4NSC1715363-(dimethylamino)-2,2-dimethylpropyl 4-nitrobenzoateDTXSID10305730NSC-171536
Database identifiers
- CAS
39943-25-4- PubChem CID
- 299094
- DTXSID
DTXSID10305730
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 342
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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