CID 28565822
PubChem CID
28565822
Structure
Molecular Formula
Status
Non-live
Molecular Weight
192.32 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
[(2S)-butan-2-yl]-(3-phenylpropyl)azanium
InChI=1S/C13H21N/c1-3-12(2)14-11-7-10-13-8-5-4-6-9-13/h4-6,8-9,12,14H,3,7,10-11H2,1-2H3/p+1/t12-/m0/s1
NTMRYTQMJANQIH-LBPRGKRZSA-O
CC[C@H](C)[NH2+]CCCC1=CC=CC=C1
C13H22N+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
192.32 g/mol
Property Name
XLogP3-AA
Property Value
3.4
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
0
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
192.175224706 g/mol
Property Name
Monoisotopic Mass
Property Value
192.175224706 g/mol
Property Name
Topological Polar Surface Area
Property Value
16.6 A^2
Property Name
Heavy Atom Count
Property Value
14
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
127
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