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CID 34174390

PubChem CID
34174390
Structure
CID 34174390_small.png
Molecular Formula
Status
Non-live
Molecular Weight
281.4 g/mol
Dates
  • Create:
    2009-05-29

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 34174390.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethyl-propan-2-ylazanium

2.1.2 InChI

InChI=1S/C19H24N2/c1-15(2)20-13-14-21-18-9-5-3-7-16(18)11-12-17-8-4-6-10-19(17)21/h3-10,15,20H,11-14H2,1-2H3/p+1

2.1.3 InChIKey

PBBVCWDLBGGVBY-UHFFFAOYSA-O

2.1.4 SMILES

CC(C)[NH2+]CCN1C2=CC=CC=C2CCC3=CC=CC=C31

2.2 Molecular Formula

C19H25N2+

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
281.4 g/mol
Property Name
XLogP3
Property Value
5.3
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
281.201773806 g/mol
Property Name
Monoisotopic Mass
Property Value
281.201773806 g/mol
Property Name
Topological Polar Surface Area
Property Value
19.9 A^2
Property Name
Heavy Atom Count
Property Value
21
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
291
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
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

5 Information Sources

CONTENTS