CID 42079249
PubChem CID
42079249
Structure
Molecular Formula
Status
Non-live
Molecular Weight
300.21 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
[(2S)-4-(2-bromophenyl)-6,6-dimethylmorpholin-2-yl]methylazanium
InChI=1S/C13H19BrN2O/c1-13(2)9-16(8-10(7-15)17-13)12-6-4-3-5-11(12)14/h3-6,10H,7-9,15H2,1-2H3/p+1/t10-/m0/s1
ZGPPSTYRDDEPFI-JTQLQIEISA-O
CC1(CN(C[C@@H](O1)C[NH3+])C2=CC=CC=C2Br)C
C13H20BrN2O+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
300.21 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
2
Property Name
Exact Mass
Property Value
299.07590 g/mol
Property Name
Monoisotopic Mass
Property Value
299.07590 g/mol
Property Name
Topological Polar Surface Area
Property Value
40.1 A^2
Property Name
Heavy Atom Count
Property Value
17
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
260
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