2,4,6-Trichloropyridin-3-amine
Basic information
- CAS
91872-08-1- Standard SMILES
Nc1c(Cl)cc(Cl)nc1Cl- InChIKey
DUJCPIVNSCGBIH-UHFFFAOYSA-N- Molecular formula
- C5H3Cl3N2
- Average molar mass
- 197.45 g/mol
- Monoisotopic mass
- 195.936181
Names & identifiers
- Preferred name
- 2,4,6-Trichloropyridin-3-amine
- IUPAC
- 2,4,6-trichloropyridin-3-amine
- English name
- 2,4,6-trichloropyridin-3-aMine
- Molecular formula
- C5H3Cl3N2
- Molecular weight
- 197.45
Names & synonyms
2,4,6-Trichloropyridin-3-amine91872-08-1DTXSID00527641RefChem:245756DTXCID40478446MFCD207036623-Pyridinamine, 2,4,6-trichloro-SCHEMBL9476338ZB1341AKOS016007948SB52375DS-16776
Show more names
SY118856DB-329598CS-0045862W18044F232798
Database identifiers
- CAS
91872-08-1- PubChem CID
- 13205641
- DTXSID
DTXSID00527641
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 121
Physicochemical properties
- Melting point
- 77.5 · 77.5-78 °C
- Boiling point
- 304.7 · 304.7±37.0 °C(Predicted)
- Density
- 1.634 · 1.634±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- -1.95 · -1.95±0.10(Predicted)
- Appearance
- White to off-white Solid
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Compound notes
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