Home > Compound List > Compound details
23707-37-1 molecular structure
click picture or here to close

isoquinolin-7-amine

ChemBase ID: 64564
Molecular Formular: C9H8N2
Molecular Mass: 144.17322
Monoisotopic Mass: 144.06874827
SMILES and InChIs

SMILES:
c12cc(N)ccc1ccnc2
Canonical SMILES:
Nc1ccc2c(c1)cncc2
InChI:
InChI=1S/C9H8N2/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-6H,10H2
InChIKey:
DRGUQIQEUWFBDE-UHFFFAOYSA-N

Cite this record

CBID:64564 http://www.chembase.cn/molecule-64564.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
isoquinolin-7-amine
IUPAC Traditional name
isoquinolin-7-amine
Synonyms
Isoquinolin-7-ylaMine
Isoquinolin-7-amine
7-Aminoisoquinoline
Isoquinolin-7-amine
CAS Number
23707-37-1
MDL Number
MFCD08669932
PubChem SID
162030303
PubChem CID
14660277

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.46813  LogD (pH = 7.4) 0.9038923 
Log P 0.91612417  Molar Refractivity 45.0517 cm3
Polarizability 18.15689 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Harmful/Irritant/Keep Cold expand Show data source
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
96% expand Show data source
97% 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