CID 28578641
PubChem CID
28578641
Structure
Molecular Formula
Status
Non-live
Molecular Weight
278.5 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
diethyl-[(4R)-4-(3-phenylpropylazaniumyl)pentyl]azanium
InChI=1S/C18H32N2/c1-4-20(5-2)16-10-11-17(3)19-15-9-14-18-12-7-6-8-13-18/h6-8,12-13,17,19H,4-5,9-11,14-16H2,1-3H3/p+2/t17-/m1/s1
WUEKVAYRSLWZGB-QGZVFWFLSA-P
CC[NH+](CC)CCC[C@@H](C)[NH2+]CCCC1=CC=CC=C1
C18H34N2+2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
278.5 g/mol
Property Name
XLogP3-AA
Property Value
4
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
0
Property Name
Rotatable Bond Count
Property Value
11
Property Name
Exact Mass
Property Value
278.272199093 g/mol
Property Name
Monoisotopic Mass
Property Value
278.272199093 g/mol
Property Name
Topological Polar Surface Area
Property Value
21.1 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
2
Property Name
Complexity
Property Value
207
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
CONTENTS