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872-73-1 molecular structure
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1,2-dimethylpyridin-1-ium iodide

ChemBase ID: 134858
Molecular Formular: C7H10IN
Molecular Mass: 235.06547
Monoisotopic Mass: 234.98579733
SMILES and InChIs

SMILES:
Cc1cccc[n+]1C.[I-]
Canonical SMILES:
Cc1cccc[n+]1C.[I-]
InChI:
InChI=1S/C7H10N.HI/c1-7-5-3-4-6-8(7)2;/h3-6H,1-2H3;1H/q+1;/p-1
InChIKey:
HNULCUYNXDDQCB-UHFFFAOYSA-M

Cite this record

CBID:134858 http://www.chembase.cn/molecule-134858.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2-dimethylpyridin-1-ium iodide
IUPAC Traditional name
1,2-dimethylpyridin-1-ium iodide
Synonyms
1,2-dimethylpyridin-1-ium iodide
1,2-Dimethylpyridinium iodide
碘化 1,2-二甲基吡啶鎓
CAS Number
872-73-1
MDL Number
MFCD00031867
PubChem SID
162229134
24882305
PubChem CID
70107

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 70107 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.522274  LogD (pH = 7.4) -3.522274 
Log P -3.522274  Molar Refractivity 34.8975 cm3
Polarizability 13.224685 Å3 Polar Surface Area 3.88 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
229 - 231°C expand Show data source
230-234 °C(lit.) expand Show data source
Hydrophobicity(logP)
-4.7 expand Show data source
RTECS
TJ7700000 expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22-36 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H319 expand Show data source
GHS Precautionary statements
P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
95% expand Show data source
Empirical Formula (Hill Notation)
C7H10IN expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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