6-(Aminomethyl)-3-nitropyridin-2-amine
Basic information
- CAS
914224-08-1- Standard SMILES
NCc1ccc([N+](=O)[O-])c(N)n1- InChIKey
CRFMGVLFJMBIJW-UHFFFAOYSA-N- Molecular formula
- C6H8N4O2
- Average molar mass
- 168.15 g/mol
- Monoisotopic mass
- 168.06472551
Names & identifiers
- Preferred name
- 6-(Aminomethyl)-3-nitropyridin-2-amine
- IUPAC
- 6-(aminomethyl)-3-nitropyridin-2-amine
- English name
- 6-(Aminomethyl)-3-nitropyridin-2-amine
- Molecular formula
- C6H8N4O2
- Molecular weight
- 168.15
Names & synonyms
6-(AMINOMETHYL)-3-NITROPYRIDIN-2-AMINE914224-08-1DTXSID10652195AKOS0062851392-Pyridinemethanamine, 6-amino-5-nitro-
Database identifiers
- CAS
914224-08-1- PubChem CID
- 29922352
- DTXSID
DTXSID10652195
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Boiling point
- 374.8 · 374.8±37.0 °C(Predicted)
- Density
- 1.44 · 1.440±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 8.11 · 8.11±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…