2-[2-[2-(Dipropylazaniumyl)ethyl]-6-nitrophenyl]acetate
Basic information
- CAS
720656-64-4- Standard SMILES
CCC[NH+](CCC)CCc1cccc([N+](=O)[O-])c1CC(=O)[O-]- InChIKey
PBMNGLVZPSNABM-UHFFFAOYSA-N- Molecular formula
- C16H24N2O4
- Average molar mass
- 308.37 g/mol
- Monoisotopic mass
- 308.17360725
Overview
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Names & identifiers
- Preferred name
- 2-[2-[2-(Dipropylazaniumyl)ethyl]-6-nitrophenyl]acetate
- IUPAC
- 2-[2-[2-(dipropylazaniumyl)ethyl]-6-nitrophenyl]acetate
Database identifiers
- CAS
720656-64-4- PubChem CID
- 29937992
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 90.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 345
Related reactions
0 records
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Compound notes
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