Home > Compound List > Compound details
875249-27-7 molecular structure
click picture or here to close

3-chloro-5,6,7,8-tetrahydroisoquinoline

ChemBase ID: 309758
Molecular Formular: C9H10ClN
Molecular Mass: 167.6354
Monoisotopic Mass: 167.05017701
SMILES and InChIs

SMILES:
n1c(cc2c(c1)CCCC2)Cl
Canonical SMILES:
Clc1ncc2c(c1)CCCC2
InChI:
InChI=1S/C9H10ClN/c10-9-5-7-3-1-2-4-8(7)6-11-9/h5-6H,1-4H2
InChIKey:
ANGNQXZJVZVJMX-UHFFFAOYSA-N

Cite this record

CBID:309758 http://www.chembase.cn/molecule-309758.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-chloro-5,6,7,8-tetrahydroisoquinoline
IUPAC Traditional name
3-chloro-5,6,7,8-tetrahydroisoquinoline
Synonyms
3-chloro-5,6,7,8-tetrahydroisoquinoline
CAS Number
875249-27-7
MDL Number
MFCD11870038

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 4044604 external link Add to cart
Data Source Data ID Price
ChemBridge
4044604 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.031863  LogD (pH = 7.4) 3.032047 
Log P 3.0320494  Molar Refractivity 47.2494 cm3
Polarizability 17.83309 Å3 Polar Surface Area 12.89 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

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