CID 25865239
PubChem CID
25865239
Structure
Molecular Formula
Status
Non-live
Molecular Weight
291.2 g/mol
Dates
- Create:2009-05-27
Chemical Structure Depiction
3-butoxypropyl-[(2,3-dichlorophenyl)methyl]azanium
InChI=1S/C14H21Cl2NO/c1-2-3-9-18-10-5-8-17-11-12-6-4-7-13(15)14(12)16/h4,6-7,17H,2-3,5,8-11H2,1H3/p+1
QIHQEZFUFPHTCV-UHFFFAOYSA-O
CCCCOCCC[NH2+]CC1=C(C(=CC=C1)Cl)Cl
C14H22Cl2NO+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
291.2 g/mol
Property Name
XLogP3-AA
Property Value
4
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
9
Property Name
Exact Mass
Property Value
290.1078447 g/mol
Property Name
Monoisotopic Mass
Property Value
290.1078447 g/mol
Property Name
Topological Polar Surface Area
Property Value
25.8 A^2
Property Name
Heavy Atom Count
Property Value
18
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
204
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
Old substance
Old substance
CONTENTS