CID 39369736
PubChem CID
39369736
Structure
Molecular Formula
Status
Non-live
Molecular Weight
271.38 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
(3-butoxyphenyl)methyl-(pyridin-4-ylmethyl)azanium
InChI=1S/C17H22N2O/c1-2-3-11-20-17-6-4-5-16(12-17)14-19-13-15-7-9-18-10-8-15/h4-10,12,19H,2-3,11,13-14H2,1H3/p+1
XXWVJRZWDKNGNH-UHFFFAOYSA-O
CCCCOC1=CC=CC(=C1)C[NH2+]CC2=CC=NC=C2
C17H23N2O+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
271.38 g/mol
Property Name
XLogP3-AA
Property Value
2.9
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
8
Property Name
Exact Mass
Property Value
271.181038361 g/mol
Property Name
Monoisotopic Mass
Property Value
271.181038361 g/mol
Property Name
Topological Polar Surface Area
Property Value
38.7 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
241
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
CONTENTS