CID 28937578
PubChem CID
28937578
Structure
Molecular Formula
Status
Non-live
Molecular Weight
210.29 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
[(2R)-4-(2-phenoxyethoxy)butan-2-yl]azanium
InChI=1S/C12H19NO2/c1-11(13)7-8-14-9-10-15-12-5-3-2-4-6-12/h2-6,11H,7-10,13H2,1H3/p+1/t11-/m1/s1
BPZMJXARMGTXJU-LLVKDONJSA-O
C[C@H](CCOCCOC1=CC=CC=C1)[NH3+]
C12H20NO2+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
210.29 g/mol
Property Name
XLogP3
Property Value
1.6
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
7
Property Name
Exact Mass
Property Value
210.149403881 g/mol
Property Name
Monoisotopic Mass
Property Value
210.149403881 g/mol
Property Name
Topological Polar Surface Area
Property Value
46.1 A^2
Property Name
Heavy Atom Count
Property Value
15
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
147
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
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
CONTENTS