6-chloro-2-N-(3-methoxyphenyl)-3-nitropyridine-2,4-diamine
Basic information
- CAS
6440-96-6- Standard SMILES
COc1cccc(Nc2nc(Cl)cc(N)c2[N+](=O)[O-])c1- InChIKey
CPJHKNFSIJXACD-UHFFFAOYSA-N- Molecular formula
- C12H11ClN4O3
- Average molar mass
- 294.69 g/mol
- Monoisotopic mass
- 294.0519679
Names & identifiers
- Preferred name
- 6-chloro-2-N-(3-methoxyphenyl)-3-nitropyridine-2,4-diamine
- IUPAC
- 6-chloro-2-N-(3-methoxyphenyl)-3-nitropyridine-2,4-diamine
- English name
- 2-(3-methoxyphenoxy)propan-1-amine
- Molecular formula
- C10H15NO2
- Molecular weight
- 181.23
Names & synonyms
6-chloro-2-N-(3-methoxyphenyl)-3-nitropyridine-2,4-diamineOprea1_693056DTXSID10389651G58102AG-690/15444387SR-01000357889SR-01000357889-14-amino-6-chloro-3-nitro-2-(3-methoxyanilino)pyridine6-Chloro-N~2~-(3-methoxyphenyl)-3-nitropyridine-2,4-diamine2-(3-methoxyphenoxy)propan-1-amine1-Propanamine, 2-(3-methoxyphenoxy)-1-[(1-Aminopropan-2-yl)oxy]-3-methoxybenzene
Database identifiers
- CAS
6440-96-6- PubChem CID
- 3133244
- DTXSID
DTXSID10389651
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 341
Physicochemical properties
- Boiling point
- 289.9 · 289.9±20.0 °C(Predicted)
- Density
- 1.038 · 1.038±0.06 g/cm3(Predicted)
- pka
- 8.53 · 8.53±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…