CID 40649738
PubChem CID
40649738
Structure
Molecular Formula
Status
Non-live
Molecular Weight
251.39 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
[4-(diethylamino)phenyl]methyl-[(2S)-1-hydroxybutan-2-yl]azanium
InChI=1S/C15H26N2O/c1-4-14(12-18)16-11-13-7-9-15(10-8-13)17(5-2)6-3/h7-10,14,16,18H,4-6,11-12H2,1-3H3/p+1/t14-/m0/s1
UONQRMPXTKIMIG-AWEZNQCLSA-O
CC[C@@H](CO)[NH2+]CC1=CC=C(C=C1)N(CC)CC
C15H27N2O+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
251.39 g/mol
Property Name
XLogP3-AA
Property Value
2.4
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
8
Property Name
Exact Mass
Property Value
251.212338489 g/mol
Property Name
Monoisotopic Mass
Property Value
251.212338489 g/mol
Property Name
Topological Polar Surface Area
Property Value
40.1 A^2
Property Name
Heavy Atom Count
Property Value
18
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
199
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