Home > Compound List > Compound details
73075-48-6 molecular structure
click picture or here to close

5,8-dichloro-1,2,3,4-tetrahydroisoquinoline hydrochloride

ChemBase ID: 53732
Molecular Formular: C9H10Cl3N
Molecular Mass: 238.5414
Monoisotopic Mass: 236.98788237
SMILES and InChIs

SMILES:
c12c(c(ccc1Cl)Cl)CCNC2.Cl
Canonical SMILES:
Clc1ccc(c2c1CNCC2)Cl.Cl
InChI:
InChI=1S/C9H9Cl2N.ClH/c10-8-1-2-9(11)7-5-12-4-3-6(7)8;/h1-2,12H,3-5H2;1H
InChIKey:
RQIGGTAPQQZXEM-UHFFFAOYSA-N

Cite this record

CBID:53732 http://www.chembase.cn/molecule-53732.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5,8-dichloro-1,2,3,4-tetrahydroisoquinoline hydrochloride
IUPAC Traditional name
5,8-dichloro-1,2,3,4-tetrahydroisoquinoline hydrochloride
Synonyms
5,8-Dichloro-1,2,3,4-tetrahydroisoquinoline hydrochloride
CAS Number
73075-48-6
MDL Number
MFCD12911830
PubChem SID
162058495
PubChem CID
12595076

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 12595076 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.07685969  LogD (pH = 7.4) 1.7856921 
Log P 2.7795725  Molar Refractivity 52.2252 cm3
Polarizability 20.310087 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
302 - 305 °C expand Show data source
302-305°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

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