CID 39358320
PubChem CID
39358320
Structure
Molecular Formula
Status
Non-live
Molecular Weight
257.35 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
(4-propan-2-yloxyphenyl)methyl-(pyridin-4-ylmethyl)azanium
InChI=1S/C16H20N2O/c1-13(2)19-16-5-3-14(4-6-16)11-18-12-15-7-9-17-10-8-15/h3-10,13,18H,11-12H2,1-2H3/p+1
NLEHMZBVSUUQJD-UHFFFAOYSA-O
CC(C)OC1=CC=C(C=C1)C[NH2+]CC2=CC=NC=C2
C16H21N2O+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
257.35 g/mol
Property Name
XLogP3-AA
Property Value
2.5
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
257.165388298 g/mol
Property Name
Monoisotopic Mass
Property Value
257.165388298 g/mol
Property Name
Topological Polar Surface Area
Property Value
38.7 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
231
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