Basic information
- CAS
744948-40-1- Standard SMILES
CCN(CC)CCNC(=O)c1ccccc1[N+](=O)[O-]- InChIKey
KMRSAVQVMHWQBJ-UHFFFAOYSA-N- Molecular formula
- C13H19N3O3
- Average molar mass
- 265.31 g/mol
- Monoisotopic mass
- 265.14264148
Names & identifiers
- Preferred name
- N-(2-(diethylamino)ethyl)-2-nitrobenzamide
- IUPAC
- N-[2-(diethylamino)ethyl]-2-nitrobenzamide
Names & synonyms
N-(2-(diethylamino)ethyl)-2-nitrobenzamideRWE6FG8R45AKOS003542959744948-40-1Benzamide, N-[2-(diethylamino)ethyl]-2-nitro-
Database identifiers
- CAS
744948-40-1- PubChem CID
- 15943
- UNII
- RWE6FG8R45
- Nikkaji
- J383.925G
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 78.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 300
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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