CID 42310829
PubChem CID
42310829
Structure
Molecular Formula
Status
Non-live
Molecular Weight
207.29 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
[(2S)-1-[benzyl(ethyl)amino]-1-oxopropan-2-yl]azanium
InChI=1S/C12H18N2O/c1-3-14(12(15)10(2)13)9-11-7-5-4-6-8-11/h4-8,10H,3,9,13H2,1-2H3/p+1/t10-/m0/s1
NUCTTXNLRMAMNJ-JTQLQIEISA-O
CCN(CC1=CC=CC=C1)C(=O)[C@H](C)[NH3+]
C12H19N2O+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
207.29 g/mol
Property Name
XLogP3-AA
Property Value
1.1
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
4
Property Name
Exact Mass
Property Value
207.149738234 g/mol
Property Name
Monoisotopic Mass
Property Value
207.149738234 g/mol
Property Name
Topological Polar Surface Area
Property Value
48 A^2
Property Name
Heavy Atom Count
Property Value
15
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
200
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
Old substance
CONTENTS