N-(3-Diethylaminomethyl-4-hydroxy-phenyl)-2-methyl-3,5-dinitro-benzamide
Basic information
- CAS
883799-46-0- Standard SMILES
CCN(CC)Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)ccc1O- InChIKey
LDXVJJPXCCUCKG-UHFFFAOYSA-N- Molecular formula
- C19H22N4O6
- Average molar mass
- 402.4 g/mol
- Monoisotopic mass
- 402.15393443
Names & identifiers
- Preferred name
- N-(3-Diethylaminomethyl-4-hydroxy-phenyl)-2-methyl-3,5-dinitro-benzamide
- IUPAC
- N-[3-(diethylaminomethyl)-4-hydroxyphenyl]-2-methyl-3,5-dinitrobenzamide
Names & synonyms
AKOS024420433N-(3-DIETHYLAMINOMETHYL-4-HYDROXY-PHENYL)-2-METHYL-3,5-DINITRO-BENZAMIDE
Database identifiers
- CAS
883799-46-0- PubChem CID
- 4130036
- EC Number
- 149-468-9
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 588
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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