Home > Compound List > Compound details
1124-64-7 molecular structure
click picture or here to close

1-butylpyridin-1-ium chloride

ChemBase ID: 303083
Molecular Formular: C9H14ClN
Molecular Mass: 171.66716
Monoisotopic Mass: 171.08147713
SMILES and InChIs

SMILES:
CCCC[n+]1ccccc1.[Cl-]
Canonical SMILES:
CCCC[n+]1ccccc1.[Cl-]
InChI:
InChI=1S/C9H14N.ClH/c1-2-3-7-10-8-5-4-6-9-10;/h4-6,8-9H,2-3,7H2,1H3;1H/q+1;/p-1
InChIKey:
POKOASTYJWUQJG-UHFFFAOYSA-M

Cite this record

CBID:303083 http://www.chembase.cn/molecule-303083.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-butylpyridin-1-ium chloride
IUPAC Traditional name
1-butylpyridin-1-ium chloride
Synonyms
1-n-Butylpyridinium chloride
N-正丁基氯化吡啶
CAS Number
1124-64-7
MDL Number
MFCD00060047

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Alfa Aesar 19740 external link Add to cart
Data Source Data ID Price
Alfa Aesar
19740 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.863896  LogD (pH = 7.4) -1.863896 
Log P -1.863896  Molar Refractivity 43.9301 cm3
Polarizability 16.997246 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)
Apperance
Crystalline expand Show data source
Melting Point
131-132°C expand Show data source
Storage Warning
Hygroscopic expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle