Home > Compound List > Compound details
1259952-24-3 molecular structure
click picture or here to close

1-methyl-1,2,3,4-tetrahydroquinoxaline dihydrochloride

ChemBase ID: 69171
Molecular Formular: C9H14Cl2N2
Molecular Mass: 221.12686
Monoisotopic Mass: 220.05340382
SMILES and InChIs

SMILES:
N1(CCNc2ccccc12)C.Cl.Cl
Canonical SMILES:
CN1CCNc2c1cccc2.Cl.Cl
InChI:
InChI=1S/C9H12N2.2ClH/c1-11-7-6-10-8-4-2-3-5-9(8)11;;/h2-5,10H,6-7H2,1H3;2*1H
InChIKey:
XSYCFZAUCGMENE-UHFFFAOYSA-N

Cite this record

CBID:69171 http://www.chembase.cn/molecule-69171.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-methyl-1,2,3,4-tetrahydroquinoxaline dihydrochloride
IUPAC Traditional name
1-methyl-3,4-dihydro-2H-quinoxaline dihydrochloride
Synonyms
1-Methyl-1,2,3,4-tetrahydroquinoxaline dihydrochloride
CAS Number
1259952-24-3
MDL Number
MFCD08544478
PubChem SID
162034900
PubChem CID
46916254

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 46916254 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.3230779  LogD (pH = 7.4) 1.381741 
Log P 1.3825428  Molar Refractivity 48.7114 cm3
Polarizability 17.41271 Å3 Polar Surface Area 15.27 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
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

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