CID 28063989
PubChem CID
28063989
Structure
Molecular Formula
Status
Non-live
Molecular Weight
202.28 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
(1-benzylimidazol-2-yl)methyl-methylazanium
InChI=1S/C12H15N3/c1-13-9-12-14-7-8-15(12)10-11-5-3-2-4-6-11/h2-8,13H,9-10H2,1H3/p+1
SXQBMBVSEYZPFP-UHFFFAOYSA-O
C[NH2+]CC1=NC=CN1CC2=CC=CC=C2
C12H16N3+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
202.28 g/mol
Property Name
XLogP3-AA
Property Value
1
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
202.134422523 g/mol
Property Name
Monoisotopic Mass
Property Value
202.134422523 g/mol
Property Name
Topological Polar Surface Area
Property Value
34.4 A^2
Property Name
Heavy Atom Count
Property Value
15
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
178
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