CID 51583594
PubChem CID
51583594
Structure
Molecular Formula
Status
Non-live
Molecular Weight
199.29 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
4-(butylazaniumyl)cyclohexane-1-carboxylate
InChI=1S/C11H21NO2/c1-2-3-8-12-10-6-4-9(5-7-10)11(13)14/h9-10,12H,2-8H2,1H3,(H,13,14)
VFEVKXDARMWLAP-UHFFFAOYSA-N
CCCC[NH2+]C1CCC(CC1)C(=O)[O-]
C11H21NO2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
199.29 g/mol
Property Name
XLogP3-AA
Property Value
0.2
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
4
Property Name
Exact Mass
Property Value
199.157228913 g/mol
Property Name
Monoisotopic Mass
Property Value
199.157228913 g/mol
Property Name
Topological Polar Surface Area
Property Value
56.7 A^2
Property Name
Heavy Atom Count
Property Value
14
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
169
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