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1179359-76-2 molecular structure
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6-(pyridin-4-yl)pyridine-2-carboximidamide hydrochloride

ChemBase ID: 797232
Molecular Formular: C11H11ClN4
Molecular Mass: 234.68484
Monoisotopic Mass: 234.06722405
SMILES and InChIs

SMILES:
Cl.n1c(cccc1C(=N)N)c1ccncc1
Canonical SMILES:
NC(=N)c1cccc(n1)c1ccncc1.Cl
InChI:
InChI=1S/C11H10N4.ClH/c12-11(13)10-3-1-2-9(15-10)8-4-6-14-7-5-8;/h1-7H,(H3,12,13);1H
InChIKey:
YZNOMFZNVHDTJH-UHFFFAOYSA-N

Cite this record

CBID:797232 http://www.chembase.cn/molecule-797232.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-(pyridin-4-yl)pyridine-2-carboximidamide hydrochloride
IUPAC Traditional name
6-(pyridin-4-yl)pyridine-2-carboximidamide hydrochloride
Synonyms
[2,4'-Bipyridine]-6-carboxiMidaMide hydrochloride
CAS Number
1179359-76-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O6408 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O6408 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) -1.4971176  LogD (pH = 7.4) -0.45848885 
Log P 0.87729543  Molar Refractivity 67.8089 cm3
Polarizability 23.20785 Å3 Polar Surface Area 75.65 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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