CID 44365047
PubChem CID
44365047
Structure
Molecular Formula
Status
Non-live
Molecular Weight
313.25 g/mol
Dates
- Create:2009-11-19
Chemical Structure Depiction
2-[(1S)-2-(dipropylamino)cyclopropyl]phenol;bromide
InChI=1S/C15H23NO.BrH/c1-3-9-16(10-4-2)14-11-13(14)12-7-5-6-8-15(12)17;/h5-8,13-14,17H,3-4,9-11H2,1-2H3;1H/p-1/t13-,14?;/m0./s1
DOXBCNMQFJOJQY-GPFYXIAXSA-M
CCCN(CCC)C1C[C@H]1C2=CC=CC=C2O.[Br-]
C15H23BrNO-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
313.25 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
312.09630 g/mol
Property Name
Monoisotopic Mass
Property Value
312.09630 g/mol
Property Name
Topological Polar Surface Area
Property Value
23.5 A^2
Property Name
Heavy Atom Count
Property Value
18
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
225
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
1
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
2
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
Old substance
CONTENTS