CID 51628621
PubChem CID
51628621
Structure
Molecular Formula
Status
Non-live
Molecular Weight
297.41 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
2-(diethylamino)ethyl-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]azanium
InChI=1S/C16H28N2O3/c1-4-18(5-2)9-8-17-13-14-6-7-15(21-11-10-19)16(12-14)20-3/h6-7,12,17,19H,4-5,8-11,13H2,1-3H3/p+1
XNYQJRZVXKVODB-UHFFFAOYSA-O
CCN(CC)CC[NH2+]CC1=CC(=C(C=C1)OCCO)OC
C16H29N2O3+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
297.41 g/mol
Property Name
XLogP3-AA
Property Value
1.3
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
11
Property Name
Exact Mass
Property Value
297.21781779 g/mol
Property Name
Monoisotopic Mass
Property Value
297.21781779 g/mol
Property Name
Topological Polar Surface Area
Property Value
58.5 A^2
Property Name
Heavy Atom Count
Property Value
21
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
250
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