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690632-33-8 molecular structure
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(Z)-N'-hydroxy-3-methylpyridine-2-carboximidamide

ChemBase ID: 77132
Molecular Formular: C7H9N3O
Molecular Mass: 151.16586
Monoisotopic Mass: 151.07456192
SMILES and InChIs

SMILES:
n1c(c(ccc1)C)/C(=N/O)/N
Canonical SMILES:
O/N=C(/c1ncccc1C)\N
InChI:
InChI=1S/C7H9N3O/c1-5-3-2-4-9-6(5)7(8)10-11/h2-4,11H,1H3,(H2,8,10)
InChIKey:
UQDFGZCCSCDNSO-UHFFFAOYSA-N

Cite this record

CBID:77132 http://www.chembase.cn/molecule-77132.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(Z)-N'-hydroxy-3-methylpyridine-2-carboximidamide
N'-hydroxy-3-methylpyridine-2-carboximidamide
IUPAC Traditional name
(Z)-N'-hydroxy-3-methylpyridine-2-carboximidamide
N'-hydroxy-3-methylpyridine-2-carboximidamide
Synonyms
N'-hydroxy-3-methyl-2-pyridinecarboximidamide
3-Methylpyridine-2-carboxamidoxime
N'-Hydroxy-3-methyl-2-pyridinecarboximidamide
3-Methylpyridine-2-acetamide oxime
3-甲基吡啶-2-酰胺肟
CAS Number
690632-33-8
MDL Number
MFCD06200877
PubChem SID
162042006
PubChem CID
6508981

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 6508981 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.678394  H Acceptors
H Donor LogD (pH = 5.5) 0.57005554 
LogD (pH = 7.4) 0.5717811  Log P 0.5721319 
Molar Refractivity 41.5925 cm3 Polarizability 15.592767 Å3
Polar Surface Area 71.5 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
88-92°C expand Show data source
Storage Warning
Irritant expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P280G-P305+P351+P338 expand Show data source
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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