CID 28387237
PubChem CID
28387237
Structure
Molecular Formula
Status
Non-live
Molecular Weight
169.24 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
2-cyanoethyl-methyl-[[(2R)-oxolan-2-yl]methyl]azanium
InChI=1S/C9H16N2O/c1-11(6-3-5-10)8-9-4-2-7-12-9/h9H,2-4,6-8H2,1H3/p+1/t9-/m1/s1
FINSXNPFMXMOAM-SECBINFHSA-O
C[NH+](CCC#N)C[C@H]1CCCO1
C9H17N2O+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
169.24 g/mol
Property Name
XLogP3-AA
Property Value
0.4
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
4
Property Name
Exact Mass
Property Value
169.134088170 g/mol
Property Name
Monoisotopic Mass
Property Value
169.134088170 g/mol
Property Name
Topological Polar Surface Area
Property Value
37.5 A^2
Property Name
Heavy Atom Count
Property Value
12
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
173
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