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52334-53-9 molecular structure
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4-aminopyridin-3-ol hydrochloride

ChemBase ID: 33019
Molecular Formular: C5H7ClN2O
Molecular Mass: 146.57488
Monoisotopic Mass: 146.02469053
SMILES and InChIs

SMILES:
c1c(c(ccn1)N)O.Cl
Canonical SMILES:
Nc1ccncc1O.Cl
InChI:
InChI=1S/C5H6N2O.ClH/c6-4-1-2-7-3-5(4)8;/h1-3,8H,(H2,6,7);1H
InChIKey:
KBMSTKGEAGODPN-UHFFFAOYSA-N

Cite this record

CBID:33019 http://www.chembase.cn/molecule-33019.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-aminopyridin-3-ol hydrochloride
IUPAC Traditional name
4-aminopyridin-3-ol hydrochloride
Synonyms
4-Aminopyridin-3-ol hydrochloride
4-Aminopyridin-3-ol hydrochloride
4-Aminopyridin-3-ol hydrochloride
3-Hydroxypyridin-4-amine hydrochloride
4-Amino-3-hydroxypyridine hydrochloride
CAS Number
52334-53-9
MDL Number
MFCD08729308
PubChem SID
160996326
PubChem CID
22832066

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.785842  H Acceptors
H Donor LogD (pH = 5.5) -1.3613249 
LogD (pH = 7.4) -1.2986343  Log P -0.86170745 
Molar Refractivity 30.5824 cm3 Polarizability 11.1832075 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
151-152°C expand Show data source
Hydrophobicity(logP)
0.975 expand Show data source
Storage Warning
Harmful/Irritant/Keep Cold expand Show data source
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source
97% expand Show data source
Empirical Formula (Hill Notation)
C5H7ClN2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - ADE000632 external link
Other Notes
Please note that Sigma-Aldrich does not collect analytical data for AldrichCPR products and that all sales are final.All AldrichCPR products, and other building blocks or screening compounds that are part of this collection, are also available as custom packaged libraries - for more details about this service or for further information on this product, please contact us at AldrichCPR@sial.com
Legal Information
Product of Adesis

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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