Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB01749"
| Predicate | Value (sorted: none) |
|---|---|
| owl:sameAs | |
| ns1:description |
"
110-71-4
experimental
This compound belongs to the polyamines. These are compounds containing more than one amine group.
Polyamines
Organic Compounds
Organonitrogen Compounds
Amines
Polyamines
Ethers
logP
0.03
ALOGPS
logS
0.3
ALOGPS
Water Solubility
1.81e+02 g/l
ALOGPS
logP
0.078
ChemAxon
IUPAC Name
1,2-dimethoxyethane
ChemAxon
Traditional IUPAC Name
1,2-dimethoxyethane
ChemAxon
Molecular Weight
90.121
ChemAxon
Monoisotopic Weight
90.068079564
ChemAxon
SMILES
COCCOC
ChemAxon
Molecular Formula
C4H10O2
ChemAxon
InChI
InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3
ChemAxon
InChIKey
InChIKey=XTHFKEDIFFGKHM-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
18.46
ChemAxon
Refractivity
24.06
ChemAxon
Polarizability
10.3
ChemAxon
Rotatable Bond Count
3
ChemAxon
H Bond Acceptor Count
2
ChemAxon
H Bond Donor Count
0
ChemAxon
pKa (strongest basic)
-3.8
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Water Solubility
1E+006 mg/L (at 20 °C)
YALKOWSKY,SH & DANNENFELSER,RM (1992)
Melting Point
-58 °C
PhysProp
Boiling Point
85 °C
PhysProp
logP
-0.21
HANSCH,C ET AL. (1995)
PubChem Compound
8071
PubChem Substance
46505078
ChemSpider
13836589
PDB
DXE
Wikipedia
1,2-Dimethoxyethane
"
|
| rdf:type | |
| rdfs:label |
"1,2-Dimethoxyethane"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object