CID 28114813
PubChem CID
28114813
Structure
Molecular Formula
Status
Non-live
Molecular Weight
220.33 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
2-[(4-ethylpiperazin-4-ium-1-yl)methyl]aniline
InChI=1S/C13H21N3/c1-2-15-7-9-16(10-8-15)11-12-5-3-4-6-13(12)14/h3-6H,2,7-11,14H2,1H3/p+1
CTBRNURJFJSDIE-UHFFFAOYSA-O
CC[NH+]1CCN(CC1)CC2=CC=CC=C2N
C13H22N3+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
220.33 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
2
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
220.181372715 g/mol
Property Name
Monoisotopic Mass
Property Value
220.181372715 g/mol
Property Name
Topological Polar Surface Area
Property Value
33.7 A^2
Property Name
Heavy Atom Count
Property Value
16
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
199
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