CID 28094024
PubChem CID
28094024
Structure
Molecular Formula
Status
Non-live
Molecular Weight
236.33 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
(1R)-1-(4-aminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethanol
InChI=1S/C13H21N3O/c1-15-6-8-16(9-7-15)10-13(17)11-2-4-12(14)5-3-11/h2-5,13,17H,6-10,14H2,1H3/p+1/t13-/m0/s1
ORGWGEZQGDEIDI-ZDUSSCGKSA-O
C[NH+]1CCN(CC1)C[C@@H](C2=CC=C(C=C2)N)O
C13H22N3O+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
236.33 g/mol
Property Name
XLogP3-AA
Property Value
0.2
Property Name
Hydrogen Bond Donor Count
Property Value
3
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
236.176287334 g/mol
Property Name
Monoisotopic Mass
Property Value
236.176287334 g/mol
Property Name
Topological Polar Surface Area
Property Value
53.9 A^2
Property Name
Heavy Atom Count
Property Value
17
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
221
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
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