CID 28615433
PubChem CID
28615433
Structure
Molecular Formula
Status
Non-live
Molecular Weight
281.41 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
2-(diethylamino)ethyl-[(3-ethoxy-4-methoxyphenyl)methyl]azanium
InChI=1S/C16H28N2O2/c1-5-18(6-2)11-10-17-13-14-8-9-15(19-4)16(12-14)20-7-3/h8-9,12,17H,5-7,10-11,13H2,1-4H3/p+1
KJGBEJMBAGVAHD-UHFFFAOYSA-O
CCN(CC)CC[NH2+]CC1=CC(=C(C=C1)OC)OCC
C16H29N2O2+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
281.41 g/mol
Property Name
XLogP3
Property Value
2.3
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
10
Property Name
Exact Mass
Property Value
281.222903172 g/mol
Property Name
Monoisotopic Mass
Property Value
281.222903172 g/mol
Property Name
Topological Polar Surface Area
Property Value
38.3 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
235
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
Old substance
CONTENTS