CID 28982923
PubChem CID
28982923
Structure
Molecular Formula
Status
Non-live
Molecular Weight
279.4 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
[(2S)-2-amino-2-(3-methoxyphenyl)ethyl]-dibutylazanium
InChI=1S/C17H30N2O/c1-4-6-11-19(12-7-5-2)14-17(18)15-9-8-10-16(13-15)20-3/h8-10,13,17H,4-7,11-12,14,18H2,1-3H3/p+1/t17-/m1/s1
UHZUGCRTXVKRMS-QGZVFWFLSA-O
CCCC[NH+](CCCC)C[C@H](C1=CC(=CC=C1)OC)N
C17H31N2O+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
279.4 g/mol
Property Name
XLogP3-AA
Property Value
3.3
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
10
Property Name
Exact Mass
Property Value
279.243638617 g/mol
Property Name
Monoisotopic Mass
Property Value
279.243638617 g/mol
Property Name
Topological Polar Surface Area
Property Value
39.7 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
227
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