CID 28601270
PubChem CID
28601270
Structure
Molecular Formula
Status
Non-live
Molecular Weight
218.32 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
2-(2-cyanoanilino)ethyl-diethylazanium
InChI=1S/C13H19N3/c1-3-16(4-2)10-9-15-13-8-6-5-7-12(13)11-14/h5-8,15H,3-4,9-10H2,1-2H3/p+1
XNBRXRNPOQCUKY-UHFFFAOYSA-O
CC[NH+](CC)CCNC1=CC=CC=C1C#N
C13H20N3+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
218.32 g/mol
Property Name
XLogP3-AA
Property Value
2.9
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
6
Property Name
Exact Mass
Property Value
218.165722651 g/mol
Property Name
Monoisotopic Mass
Property Value
218.165722651 g/mol
Property Name
Topological Polar Surface Area
Property Value
40.3 A^2
Property Name
Heavy Atom Count
Property Value
16
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
227
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