Home > Compound List > Compound details
1463-17-8 molecular structure
click picture or here to close

2,8-dimethylquinoline

ChemBase ID: 137124
Molecular Formular: C11H11N
Molecular Mass: 157.21174
Monoisotopic Mass: 157.08914936
SMILES and InChIs

SMILES:
Cc1cccc2c1nc(cc2)C
Canonical SMILES:
Cc1ccc2c(n1)c(C)ccc2
InChI:
InChI=1S/C11H11N/c1-8-4-3-5-10-7-6-9(2)12-11(8)10/h3-7H,1-2H3
InChIKey:
BELFSAVWJLQIBB-UHFFFAOYSA-N

Cite this record

CBID:137124 http://www.chembase.cn/molecule-137124.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,8-dimethylquinoline
IUPAC Traditional name
2,8-dimethylquinoline
Synonyms
2,8-Dimethylquinoline
2,8-Dimethylquinoline
2,8-二甲基喹啉
CAS Number
1463-17-8
MDL Number
MFCD00010091
PubChem SID
162231389
PubChem CID
15101

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 15101 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.6064782  LogD (pH = 7.4) 2.7730756 
Log P 2.775692  Molar Refractivity 49.612 cm3
Polarizability 20.603416 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
Purity
95+% expand Show data source
98% expand Show data source
99% expand Show data source
Empirical Formula (Hill Notation)
C11H11N 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