CID 39355046
PubChem CID
39355046
Structure
Molecular Formula
Status
Non-live
Molecular Weight
252.37 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
[(2S)-butan-2-yl]-[(2R)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]azanium
InChI=1S/C15H25NO2/c1-5-13(4)16-9-14(17)10-18-15-8-11(2)6-7-12(15)3/h6-8,13-14,16-17H,5,9-10H2,1-4H3/p+1/t13-,14+/m0/s1
ZDNAHBAHPWBYNG-UONOGXRCSA-O
CC[C@H](C)[NH2+]C[C@H](COC1=C(C=CC(=C1)C)C)O
C15H26NO2+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
252.37 g/mol
Property Name
XLogP3-AA
Property Value
2.9
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
7
Property Name
Exact Mass
Property Value
252.196354072 g/mol
Property Name
Monoisotopic Mass
Property Value
252.196354072 g/mol
Property Name
Topological Polar Surface Area
Property Value
46.1 A^2
Property Name
Heavy Atom Count
Property Value
18
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
223
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
2
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