CID 28409918
PubChem CID
28409918
Structure
Molecular Formula
Status
Non-live
Molecular Weight
234.32 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
[amino-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methylidene]azanium
InChI=1S/C13H19N3O/c1-9-7-16(8-10(2)17-9)12-5-3-11(4-6-12)13(14)15/h3-6,9-10H,7-8H2,1-2H3,(H3,14,15)/p+1/t9-,10-/m1/s1
KGDMHXWCZCZMIC-NXEZZACHSA-O
C[C@@H]1CN(C[C@H](O1)C)C2=CC=C(C=C2)C(=[NH2+])N
C13H20N3O+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
234.32 g/mol
Property Name
XLogP3-AA
Property Value
1.5
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
2
Property Name
Exact Mass
Property Value
234.160637270 g/mol
Property Name
Monoisotopic Mass
Property Value
234.160637270 g/mol
Property Name
Topological Polar Surface Area
Property Value
64.1 A^2
Property Name
Heavy Atom Count
Property Value
17
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
258
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
2
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