3-Pyridinecarboxylic acid, 2-((3-nitrophenyl)amino)-, 3-(dimethylamino)propyl ester, monohydrochloride
Basic information
- CAS
75449-71-7- Standard SMILES
CN(C)CCCOC(=O)c1cccnc1Nc1cccc([N+](=O)[O-])c1.Cl- InChIKey
OPFLUXFJDNKJJC-UHFFFAOYSA-N- Molecular formula
- C17H21ClN4O4
- Average molar mass
- 380.8 g/mol
- Monoisotopic mass
- 380.1251329
Names & identifiers
- Preferred name
- 3-Pyridinecarboxylic acid, 2-((3-nitrophenyl)amino)-, 3-(dimethylamino)propyl ester, monohydrochloride
- IUPAC
- 3-(dimethylamino)propyl 2-(3-nitroanilino)pyridine-3-carboxylate;hydrochloride
Names & synonyms
3-Pyridinecarboxylic acid, 2-((3-nitrophenyl)amino)-, 3-(dimethylamino)propyl ester, monohydrochloride2-((3-Nitrophenyl)amino)-3-pyridinecarboxylic acid 3-(dimethylamino)propyl ester HCl75449-71-7DTXSID50226379RefChem:282228DTXCID001488703-(Dimethylamino)propyl 2-(3-nitroanilino)pyridine-3-carboxylate--hydrogen chloride (1/1)
Database identifiers
- CAS
75449-71-7- PubChem CID
- 3058643
- DTXSID
DTXSID50226379
Properties
Computed structural properties
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 441
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…