CID 28615444
PubChem CID
28615444
Structure
Molecular Formula
Status
Non-live
Molecular Weight
265.37 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
2-(diethylamino)ethyl-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)azanium
InChI=1S/C15H24N2O2/c1-3-17(4-2)8-7-16-12-13-5-6-14-15(11-13)19-10-9-18-14/h5-6,11,16H,3-4,7-10,12H2,1-2H3/p+1
MKUBUEZPMJWGOM-UHFFFAOYSA-O
CCN(CC)CC[NH2+]CC1=CC2=C(C=C1)OCCO2
C15H25N2O2+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
265.37 g/mol
Property Name
XLogP3
Property Value
2
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
7
Property Name
Exact Mass
Property Value
265.191603044 g/mol
Property Name
Monoisotopic Mass
Property Value
265.191603044 g/mol
Property Name
Topological Polar Surface Area
Property Value
38.3 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
246
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
CONTENTS