CID 52174715
PubChem CID
52174715
Structure
Molecular Formula
Status
Non-live
Molecular Weight
214.32 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
cyclopropylmethyl-(3-ethoxy-3-oxopropyl)-propylazanium
InChI=1S/C12H23NO2/c1-3-8-13(10-11-5-6-11)9-7-12(14)15-4-2/h11H,3-10H2,1-2H3/p+1
QTCDNKPKAHWYBY-UHFFFAOYSA-O
CCC[NH+](CCC(=O)OCC)CC1CC1
C12H24NO2+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
214.32 g/mol
Property Name
XLogP3-AA
Property Value
2.1
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
9
Property Name
Exact Mass
Property Value
214.180704008 g/mol
Property Name
Monoisotopic Mass
Property Value
214.180704008 g/mol
Property Name
Topological Polar Surface Area
Property Value
30.7 A^2
Property Name
Heavy Atom Count
Property Value
15
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
190
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
Old substance
CONTENTS