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34107-46-5 molecular structure
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(6-methylpyridin-3-yl)methanol

ChemBase ID: 44772
Molecular Formular: C7H9NO
Molecular Mass: 123.15246
Monoisotopic Mass: 123.06841391
SMILES and InChIs

SMILES:
n1cc(ccc1C)CO
Canonical SMILES:
OCc1ccc(nc1)C
InChI:
InChI=1S/C7H9NO/c1-6-2-3-7(5-9)4-8-6/h2-4,9H,5H2,1H3
InChIKey:
DJCJOWDAAZEMCI-UHFFFAOYSA-N

Cite this record

CBID:44772 http://www.chembase.cn/molecule-44772.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(6-methylpyridin-3-yl)methanol
IUPAC Traditional name
(6-methylpyridin-3-yl)methanol
Synonyms
(6-Methyl-3-pyridinyl)methanol
(6-Methylpyridin-3-yl)methanol
5-(Hydroxymethyl)-2-picoline
5-(Hydroxymethyl)-2-methylpyridine
(6-methylpyridin-3-yl)methanol
(6-Methyl-3-pyridinyl)methanol
6-Methylpyridine-3-methanol
5-Hydroxymethyl-2-methylpyridine
(6-甲基-3-吡啶基)甲醇
6-甲基-3-甲醇吡啶
6-甲基-3-羟甲基吡啶
CAS Number
34107-46-5
MDL Number
MFCD08692003
PubChem SID
162049535
PubChem CID
11228788

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.752625  H Acceptors
H Donor LogD (pH = 5.5) -0.12891452 
LogD (pH = 7.4) 0.11527199  Log P 0.11959379 
Molar Refractivity 35.3085 cm3 Polarizability 13.6466465 Å3
Polar Surface Area 33.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
43-47 °C expand Show data source
LMS °C expand Show data source
Flash Point
>110 °C expand Show data source
>230 °F expand Show data source
Refractive Index
n20/D 1.540 expand Show data source
Hydrophobicity(logP)
0.556 expand Show data source
Storage Warning
Harmful/Irritant/Store under Argon expand Show data source
IRRITANT expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22-37/38-41 expand Show data source
Safety Statements
26-39 expand Show data source
TSCA Listed
false expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H315-H318-H335 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338 expand Show data source
Purity
>95% expand Show data source
95% expand Show data source
97% expand Show data source
Empirical Formula (Hill Notation)
C7H9NO expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 716367 external link
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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