CID 45026329
PubChem CID
45026329
Structure
Molecular Formula
Status
Non-live
Molecular Weight
300.8 g/mol
Dates
- Create:2010-03-26
Chemical Structure Depiction
N-benzyl-2,6-dimethylquinolin-4-amine;molecular hydrogen;hydrochloride
InChI=1S/C18H18N2.ClH.H2/c1-13-8-9-17-16(10-13)18(11-14(2)20-17)19-12-15-6-4-3-5-7-15;;/h3-11H,12H2,1-2H3,(H,19,20);2*1H
QLHUKJQPWWADMS-UHFFFAOYSA-N
[HH].CC1=CC2=C(C=C(N=C2C=C1)C)NCC3=CC=CC=C3.Cl
C18H21ClN2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
300.8 g/mol
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
3
Property Name
Exact Mass
Property Value
300.1393264 g/mol
Property Name
Monoisotopic Mass
Property Value
300.1393264 g/mol
Property Name
Topological Polar Surface Area
Property Value
24.9 A^2
Property Name
Heavy Atom Count
Property Value
21
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
298
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
3
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS