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103-74-2 molecular structure
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2-(pyridin-2-yl)ethan-1-ol

ChemBase ID: 76855
Molecular Formular: C7H9NO
Molecular Mass: 123.15246
Monoisotopic Mass: 123.06841391
SMILES and InChIs

SMILES:
n1c(cccc1)CCO
Canonical SMILES:
OCCc1ccccn1
InChI:
InChI=1S/C7H9NO/c9-6-4-7-3-1-2-5-8-7/h1-3,5,9H,4,6H2
InChIKey:
BXGYBSJAZFGIPX-UHFFFAOYSA-N

Cite this record

CBID:76855 http://www.chembase.cn/molecule-76855.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(pyridin-2-yl)ethan-1-ol
IUPAC Traditional name
2-pyridineethanol
oxethazine
Synonyms
2-ETHANOLPYRIDINE
2-(2-Pyridyl)ethanol
2-(2-Hydroxyethyl)pyridine
2-Pyridineethanol
2-(Pyridin-2-yl)ethan-1-ol
2-(2-Hydroxyethyl)pyridine
2-Pyridineethanol
2-(2-Hydroxyethyl)pyridine
2-pyridin-2-ylethanol
2-(2-羟基乙基)吡啶
2-乙醇基吡啶
2-羟乙基吡啶
2-(2-羟基乙基)吡啶
CAS Number
103-74-2
EC Number
203-140-2
MDL Number
MFCD00006364
Beilstein Number
111205
PubChem SID
162041757
24847871
PubChem CID
7675

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.683945  H Acceptors
H Donor LogD (pH = 5.5) 0.11519312 
LogD (pH = 7.4) 0.3036269  Log P 0.30670825 
Molar Refractivity 34.8942 cm3 Polarizability 13.6509075 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
29 - 30°C expand Show data source
-8°C expand Show data source
Boiling Point
114-116 °C/9 mmHg(lit.) expand Show data source
235-238°C expand Show data source
Flash Point
113 °C expand Show data source
117°C(243°F) expand Show data source
235.4 °F expand Show data source
Density
1.093 g/mL at 25 °C(lit.) expand Show data source
1.095 expand Show data source
Refractive Index
1.5370 expand Show data source
n20/D 1.537(lit.) expand Show data source
Hydrophobicity(logP)
-0.164 expand Show data source
Storage Warning
Hygroscopic expand Show data source
Irritant/Hygroscopic expand Show data source
RTECS
UT2970450 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
German water hazard class
2 expand Show data source
Hazard Class
6.1 expand Show data source
Risk Statements
36/37/38 expand Show data source
R:36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
26-37 expand Show data source
S:20-25-26-37/39 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
H315-H319-H335-H227 expand Show data source
GHS Precautionary statements
P210-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
95% expand Show data source
98% expand Show data source
99% expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C7H9NO expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05211710 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 128643 external link
Packaging
5, 100, 500 g in glass bottle
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. 128643.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Reagent for protection of the 5'-phosphate of nucleotides as 2-pyridylethyl (Pet) esters. The group can be introduced by DCC-coupling, is stable to mild base, but can be cleaved by methoxide in pyridine-methanol: Chem. Ber., 103, 1032 (1970).
  • • Has also been used for carboxyl protection of amino acids. Pet esters are stable to both mildly acidic and basic conditions used to cleave such groups as Boc and Fmoc, and also to hydrogenolysis. Cleavage is by quaternization with methyl iodide in the presence of mild base: Tetrahedron Lett., 25, 3971 (1984); Angew. Chem. Int. Ed., 23, 716 (1984). See Appendix 6.
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PATENTS

PATENTS

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INTERNET

INTERNET

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