CID 40521843
PubChem CID
40521843
Structure
Molecular Formula
Status
Non-live
Molecular Weight
230.12 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
5-bromo-N-(2-methylpropyl)pyridin-1-ium-2-amine
InChI=1S/C9H13BrN2/c1-7(2)5-11-9-4-3-8(10)6-12-9/h3-4,6-7H,5H2,1-2H3,(H,11,12)/p+1
NQBZRNWPFRFKMT-UHFFFAOYSA-O
CC(C)CNC1=[NH+]C=C(C=C1)Br
C9H14BrN2+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
230.12 g/mol
Property Name
XLogP3-AA
Property Value
3.4
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
229.03404 g/mol
Property Name
Monoisotopic Mass
Property Value
229.03404 g/mol
Property Name
Topological Polar Surface Area
Property Value
26.2 A^2
Property Name
Heavy Atom Count
Property Value
12
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
128
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