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653584-65-7 molecular structure
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3-[(hydroxyimino)methyl]pyridin-2-amine hydrochloride

ChemBase ID: 800431
Molecular Formular: C6H8ClN3O
Molecular Mass: 173.60022
Monoisotopic Mass: 173.03558957
SMILES and InChIs

SMILES:
Cl.n1c(c(ccc1)C=NO)N
Canonical SMILES:
Nc1ncccc1C=NO.Cl
InChI:
InChI=1S/C6H7N3O.ClH/c7-6-5(4-9-10)2-1-3-8-6;/h1-4,10H,(H2,7,8);1H
InChIKey:
DGNBEVBYMQDDDO-UHFFFAOYSA-N

Cite this record

CBID:800431 http://www.chembase.cn/molecule-800431.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-[(hydroxyimino)methyl]pyridin-2-amine hydrochloride
IUPAC Traditional name
3-[(hydroxyimino)methyl]pyridin-2-amine hydrochloride
Synonyms
2-Amino-pyridine-3-carbaldehyde oxime hydrochloride
CAS Number
653584-65-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
LogD (pH = 7.4) 0.21613611  Log P 0.2430871 
Molar Refractivity 39.3207 cm3 Polarizability 13.835709 Å3
Polar Surface Area 71.5 Å2 Rotatable Bonds
Lipinski's Rule of Five true  Acid pKa 10.106526 
H Acceptors H Donor
LogD (pH = 5.5) -0.4231513 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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