Basic information
- CAS
39943-34-5- Standard SMILES
CN(C)CC1(COC(=O)c2ccc([N+](=O)[O-])cc2)CCCCC1- InChIKey
HKYOQVYCOHVYTO-UHFFFAOYSA-N- Molecular formula
- C17H24N2O4
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 320.17360725
Names & identifiers
- Preferred name
- [1-[(Dimethylamino)methyl]cyclohexyl]methyl 4-nitrobenzoate
- IUPAC
- [1-[(dimethylamino)methyl]cyclohexyl]methyl 4-nitrobenzoate
Names & synonyms
NSC17154039943-34-5DTXSID30305732NSC-171540{1-[(DIMETHYLAMINO)METHYL]CYCLOHEXYL}METHYL 4-NITROBENZOATE
Database identifiers
- CAS
39943-34-5- PubChem CID
- 299098
- DTXSID
DTXSID30305732
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 405
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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