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113293-71-3 molecular structure
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(6-aminopyridin-3-yl)methanol

ChemBase ID: 63136
Molecular Formular: C6H8N2O
Molecular Mass: 124.14052
Monoisotopic Mass: 124.06366289
SMILES and InChIs

SMILES:
n1c(N)ccc(c1)CO
Canonical SMILES:
OCc1ccc(nc1)N
InChI:
InChI=1S/C6H8N2O/c7-6-2-1-5(4-9)3-8-6/h1-3,9H,4H2,(H2,7,8)
InChIKey:
TXPRFSOGPYITOT-UHFFFAOYSA-N

Cite this record

CBID:63136 http://www.chembase.cn/molecule-63136.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(6-aminopyridin-3-yl)methanol
IUPAC Traditional name
(6-aminopyridin-3-yl)methanol
Synonyms
2-Amino-5-(hydroxymethyl)pyridine
2-Aminopyridine-5-methanol
2-Amino-5-hydroxymethylpyridine
(6-Aminopyridin-3-yl)methanol
2-Amino-5-(hydroxymethyl)pyridine 97%
(6-amino-3-pyridinyl)methanol
(6-Aminopyridin-3-yl)methanol
2-氨基吡啶-5-甲醇
CAS Number
113293-71-3
MDL Number
MFCD06659089
PubChem SID
162028875
PubChem CID
2794829

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.854356  H Acceptors
H Donor LogD (pH = 5.5) -1.0958667 
LogD (pH = 7.4) -0.2859012  Log P -0.2462448 
Molar Refractivity 35.7309 cm3 Polarizability 13.029104 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
113-118°C expand Show data source
119.5-120°C expand Show data source
Storage Warning
Harmful/Irritant 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
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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