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6295-87-0 molecular structure
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1-aminopyridin-1-ium iodide

ChemBase ID: 78200
Molecular Formular: C5H7IN2
Molecular Mass: 222.02695
Monoisotopic Mass: 221.96539623
SMILES and InChIs

SMILES:
[n+]1(ccccc1)N.[I-]
Canonical SMILES:
N[n+]1ccccc1.[I-]
InChI:
InChI=1S/C5H7N2.HI/c6-7-4-2-1-3-5-7;/h1-5H,6H2;1H/q+1;/p-1
InChIKey:
NDRLPYIMWROJBG-UHFFFAOYSA-M

Cite this record

CBID:78200 http://www.chembase.cn/molecule-78200.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-aminopyridin-1-ium iodide
IUPAC Traditional name
1-aminopyridin-1-ium iodide
Synonyms
1-Aminopyridinium iodide
1-Aminopyridinium iodide
1-氨基碘代吡啶
CAS Number
6295-87-0
EC Number
228-566-6
MDL Number
MFCD00051893
Beilstein Number
3713241
PubChem SID
162043011
24867664
PubChem CID
2733704

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.154568  H Acceptors
H Donor LogD (pH = 5.5) -2.2142067 
LogD (pH = 7.4) -2.2142067  Log P -2.3262067 
Molar Refractivity 31.0546 cm3 Polarizability 10.816217 Å3
Polar Surface Area 29.9 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
159-161 °C(lit.) expand Show data source
159-161°C expand Show data source
ca 160°C dec. expand Show data source
Storage Warning
Irritant expand Show data source
Light Sensitive expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥97.0% (HPLC/AT) expand Show data source
97% expand Show data source
Grade
purum expand Show data source
Empirical Formula (Hill Notation)
C5H7IN2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 441503 external link
Packaging
10 g in glass bottle
Sigma Aldrich - 09375 external link
Other Notes
Building block for preparing pyrazolopyridines1

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Treatment with base yields a 1,3-dipole (azomethine imine), which undergoes 1,3-cycloaddition with dipolarophiles such as methyl propiolate or acetylenedicarboxylic esters: Tetrahedron Lett.,387 (1962); Org. Process Res. Dev., 2, 320 (1998):
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PATENTS

PATENTS

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INTERNET

INTERNET

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