Home > Compound List > Compound details
63634-44-6 molecular structure
click picture or here to close

(1-ethyl-1H-imidazol-2-yl)methanol

ChemBase ID: 61366
Molecular Formular: C6H10N2O
Molecular Mass: 126.1564
Monoisotopic Mass: 126.07931295
SMILES and InChIs

SMILES:
c1(n(ccn1)CC)CO
Canonical SMILES:
OCc1nccn1CC
InChI:
InChI=1S/C6H10N2O/c1-2-8-4-3-7-6(8)5-9/h3-4,9H,2,5H2,1H3
InChIKey:
QYEQHVNOKQUFFM-UHFFFAOYSA-N

Cite this record

CBID:61366 http://www.chembase.cn/molecule-61366.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1-ethyl-1H-imidazol-2-yl)methanol
IUPAC Traditional name
(1-ethylimidazol-2-yl)methanol
Synonyms
(1-Ethyl-1H-imidazol-2-yl)methanol
(1-Ethyl-1H-imidazol-2-yl)methanol
CAS Number
63634-44-6
MDL Number
MFCD09881565
PubChem SID
162027107
PubChem CID
581042

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.004303  H Acceptors
H Donor LogD (pH = 5.5) -0.65013415 
LogD (pH = 7.4) -0.2680426  Log P -0.2589235 
Molar Refractivity 34.801 cm3 Polarizability 13.211992 Å3
Polar Surface Area 38.05 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
-0.522 expand Show data source
Storage Warning
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
Empirical Formula (Hill Notation)
C6H10N2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - CBR00306 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 ChemBridge Corp.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle