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6320-39-4 molecular structure
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3-aminopyridin-4-ol

ChemBase ID: 50869
Molecular Formular: C5H6N2O
Molecular Mass: 110.11394
Monoisotopic Mass: 110.04801282
SMILES and InChIs

SMILES:
c1c(c(ccn1)O)N
Canonical SMILES:
Nc1cnccc1O
InChI:
InChI=1S/C5H6N2O/c6-4-3-7-2-1-5(4)8/h1-3H,6H2,(H,7,8)
InChIKey:
OIIBRAGQGFLUFI-UHFFFAOYSA-N

Cite this record

CBID:50869 http://www.chembase.cn/molecule-50869.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-aminopyridin-4-ol
IUPAC Traditional name
3-aminopyridin-4-ol
Synonyms
3-Amino-4-hydroxypyridine
3-aminopyridin-4-ol
3-Amino-4-pyridinol
3-Amino-4(1H)-pyridone
3-Amino-4-hydroxypyridine hydrate
3-氨基-4-羟基吡啶水合物
CAS Number
6320-39-4
33631-05-9
MDL Number
MFCD04114230
PubChem SID
162055632
PubChem CID
233392

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.871962  H Acceptors
H Donor LogD (pH = 5.5) -0.37980503 
LogD (pH = 7.4) -0.37709892  Log P -0.3769179 
Molar Refractivity 30.5824 cm3 Polarizability 11.184536 Å3
Polar Surface Area 59.14 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
145-149°C expand Show data source
145-149°C expand Show data source
156 - 158°C expand Show data source
Hydrophobicity(logP)
0.975 expand Show data source
Storage Warning
Harmful/Irritant/Store under Argon expand Show data source
IRRITANT expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-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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