Home > Compound List > Compound details
63111-29-5 molecular structure
click picture or here to close

1-[(4-methoxyphenyl)methyl]-2H,3H-imidazo[1,2-a]pyridin-1-ium chloride

ChemBase ID: 172890
Molecular Formular: C15H17ClN2O
Molecular Mass: 276.76128
Monoisotopic Mass: 276.10294085
SMILES and InChIs

SMILES:
c1ccn2c(=[N+](CC2)Cc2ccc(cc2)OC)c1.[Cl-]
Canonical SMILES:
COc1ccc(cc1)C[N+]1=c2ccccn2CC1.[Cl-]
InChI:
InChI=1S/C15H17N2O.ClH/c1-18-14-7-5-13(6-8-14)12-17-11-10-16-9-3-2-4-15(16)17;/h2-9H,10-12H2,1H3;1H/q+1;/p-1
InChIKey:
CKINGDYVXQWYPG-UHFFFAOYSA-M

Cite this record

CBID:172890 http://www.chembase.cn/molecule-172890.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[(4-methoxyphenyl)methyl]-2H,3H-imidazo[1,2-a]pyridin-1-ium chloride
IUPAC Traditional name
1-[(4-methoxyphenyl)methyl]-2H,3H-imidazo[1,2-a]pyridin-1-ium chloride
Synonyms
2,3-Dihydro-1-[(4-methoxyphenyl)methyl]-1H-imidazo[1,2-a]pyridin-4-ium Chloride
1-(4-Methoxybenzyl)-2,3-dihydroimidazo[1,2-a]pyridin-1-ium Chloride
CAS Number
63111-29-5
PubChem SID
164228800
PubChem CID
20395512

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC M261080 external link Add to cart
PubChem 20395512 external link
Data Source Data ID Price
TRC
M261080 external link Add to cart Please log in.
Data Source Data ID
PubChem 20395512 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.6370138  LogD (pH = 7.4) -1.6370138 
Log P -1.6370138  Molar Refractivity 85.5122 cm3
Polarizability 27.788975 Å3 Polar Surface Area 15.48 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Methanol expand Show data source
Apperance
White to Off-White Solid expand Show data source
Melting Point
163-165°C°C expand Show data source
Storage Condition
Refrigerator, Under Inert Atmosphere expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - M261080 external link
A degradation product of Pyrilamine, an antihistaminic agent.

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