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MFCD07681953 molecular structure
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1,2,3,4-tetrahydroisoquinoline-2-carboximidamide hydroiodide

ChemBase ID: 270512
Molecular Formular: C10H14IN3
Molecular Mass: 303.14273
Monoisotopic Mass: 303.02324546
SMILES and InChIs

SMILES:
N1(C(=N)N)Cc2c(CC1)cccc2.I
Canonical SMILES:
NC(=N)N1CCc2c(C1)cccc2.I
InChI:
InChI=1S/C10H13N3.HI/c11-10(12)13-6-5-8-3-1-2-4-9(8)7-13;/h1-4H,5-7H2,(H3,11,12);1H
InChIKey:
FSDNBVFWOCFLIE-UHFFFAOYSA-N

Cite this record

CBID:270512 http://www.chembase.cn/molecule-270512.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2,3,4-tetrahydroisoquinoline-2-carboximidamide hydroiodide
IUPAC Traditional name
debrisoquin hydroiodide
Synonyms
1,2,3,4-tetrahydroisoquinoline-2-carboximidamide hydroiodide
Debrisoquin hydriodide
3,4-Dihydro-1H-isoquinoline-2-carboxamidine hydriodide
3,4-二氢-1H-异喹啉-2-碳脒氢碘酸盐
MDL Number
MFCD07681953
PubChem SID
164326422
PubChem CID
16261658

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16261658 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.348339  LogD (pH = 7.4) -1.347392 
Log P 1.067108  Molar Refractivity 63.8503 cm3
Polarizability 19.882635 Å3 Polar Surface Area 53.11 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
152-154°C expand Show data source
158 - 160°C expand Show data source
Hydrophobicity(logP)
0.895 expand Show data source
Storage Warning
Light Sensitive expand Show data source
European Hazard Symbols
X expand Show data source
Risk Statements
22 expand Show data source
Safety Statements
36 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Hazard statements
H301 expand Show data source
GHS Precautionary statements
P264-P270-P301+P310-P321-P405-P501A expand Show data source
Purity
95% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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