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23612-57-9 molecular structure
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(2-aminopyridin-3-yl)methanol

ChemBase ID: 15486
Molecular Formular: C6H8N2O
Molecular Mass: 124.14052
Monoisotopic Mass: 124.06366289
SMILES and InChIs

SMILES:
c1(c(CO)cccn1)N
Canonical SMILES:
OCc1cccnc1N
InChI:
InChI=1S/C6H8N2O/c7-6-5(4-9)2-1-3-8-6/h1-3,9H,4H2,(H2,7,8)
InChIKey:
FEIACFYXEWBKHU-UHFFFAOYSA-N

Cite this record

CBID:15486 http://www.chembase.cn/molecule-15486.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-aminopyridin-3-yl)methanol
IUPAC Traditional name
(2-aminopyridin-3-yl)methanol
Synonyms
(2-Amino-3-pyridinyl)methanol
(2-Aminopyridin-3-yl)methanol
2-Amino-3-(hydroxymethyl)pyridine
(2-Amino-pyridin-3-yl)-methanol
2-Amino-3-hydroxymethylpyridine
2-Amino-3-pyridinemethanol
2-Amino-3-pyridinemethanol
2-Amino-3-(hydroxymethyl)pyridine
2-Amino-3-pyridylmethanol
3-(Hydroxymethyl)-2-pyridinamine
(2-Aminopyridin-3-yl)methanol
(2-Amino-pyridin-3-yl)-methanol
2-氨基吡啶-3-甲醇
CAS Number
23612-57-9
MDL Number
MFCD05663510
PubChem SID
160978793
PubChem CID
11159325

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.66998  H Acceptors
H Donor LogD (pH = 5.5) -1.149601 
LogD (pH = 7.4) -0.29339653  Log P -0.2462448 
Molar Refractivity 35.7309 cm3 Polarizability 13.02939 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)
Apperance
Pale-Yellow Powder expand Show data source
Melting Point
66-68°C expand Show data source
68-69°C expand Show data source
Storage Condition
Store under N2 at -18°C expand Show data source
Storage Warning
Air Sensitive expand Show data source
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
Download expand Show data source
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
98% expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C6H8N2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - ADE000265 external link
Other Notes
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Legal Information
Product of Adesis

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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