Home > Compound List > Compound details
1246819-52-2 molecular structure
click picture or here to close

3-methyl-3H-imidazo[4,5-f]isoquinolin-2-amine hydrobromide

ChemBase ID: 160292
Molecular Formular: C11H11BrN4
Molecular Mass: 279.13584
Monoisotopic Mass: 278.01670837
SMILES and InChIs

SMILES:
c1ncc2c(c1)c1c(cc2)n(c(n1)N)C.Br
Canonical SMILES:
Nc1nc2c(n1C)ccc1c2ccnc1.Br
InChI:
InChI=1S/C11H10N4.BrH/c1-15-9-3-2-7-6-13-5-4-8(7)10(9)14-11(15)12;/h2-6H,1H3,(H2,12,14);1H
InChIKey:
MICSCRZPQICXNA-UHFFFAOYSA-N

Cite this record

CBID:160292 http://www.chembase.cn/molecule-160292.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-methyl-3H-imidazo[4,5-f]isoquinolin-2-amine hydrobromide
IUPAC Traditional name
3-methylimidazo[4,5-f]isoquinolin-2-amine hydrobromide
Synonyms
3-Methyl-3H-imidazo[4,5-f]isoquinolin-2-amine Hydrobromide
2-Amino-3-methyl-3H-imidazo[4,5-F]isoquinoline Hydrobromide
CAS Number
1246819-52-2
PubChem SID
162254427
PubChem CID
71313311

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC A616210 external link Add to cart
PubChem 71313311 external link
Data Source Data ID Price
TRC
A616210 external link Add to cart Please log in.
Data Source Data ID
PubChem 71313311 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.2800111  LogD (pH = 7.4) 0.7198976 
Log P 1.1103084  Molar Refractivity 58.3322 cm3
Polarizability 24.230667 Å3 Polar Surface Area 56.73 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMSO expand Show data source
Apperance
Brown Solid 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 - A616210 external link
A closely related isomer to the heterocyclic food mutagen IQ. Useful for biological and structure-activity studies of IQ.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Jagerstad, M., et al.: Mutation Research, 144, 131 (1985)
  • • Vikse, R., et al.: Mutation Res., 319, 273 (1993).
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle