Home > Compound List > Compound details
83598-55-4 molecular structure
click picture or here to close

5,6-dimethoxy-2,3-dihydro-1H-inden-2-amine

ChemBase ID: 58892
Molecular Formular: C11H15NO2
Molecular Mass: 193.2423
Monoisotopic Mass: 193.11027873
SMILES and InChIs

SMILES:
c12c(cc(c(c1)OC)OC)CC(C2)N
Canonical SMILES:
COc1cc2CC(Cc2cc1OC)N
InChI:
InChI=1S/C11H15NO2/c1-13-10-5-7-3-9(12)4-8(7)6-11(10)14-2/h5-6,9H,3-4,12H2,1-2H3
InChIKey:
TZASGTHDRXFGHT-UHFFFAOYSA-N

Cite this record

CBID:58892 http://www.chembase.cn/molecule-58892.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5,6-dimethoxy-2,3-dihydro-1H-inden-2-amine
IUPAC Traditional name
5,6-dimethoxy-2,3-dihydro-1H-inden-2-amine
Synonyms
5,6-Dimethoxy-2,3-dihydro-1H-inden-2-amine
CAS Number
83598-55-4
MDL Number
MFCD08234972
PubChem SID
162063655
PubChem CID
11041623

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 11041623 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.8457927  LogD (pH = 7.4) -1.2759339 
Log P 1.1719885  Molar Refractivity 55.1926 cm3
Polarizability 21.526588 Å3 Polar Surface Area 44.48 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
75 - 78 °C expand Show data source
75-78°C expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
> 95% expand Show data source
95+% 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