An official website of the United States government

CID 20340969

PubChem CID
20340969
Structure
CID 20340969_small.png
Molecular Formula
Status
Non-live
Molecular Weight
131.02 g/mol
Dates
  • Create:
    2007-12-05

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 20340969.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

propylazanium;dichloride

2.1.2 InChI

InChI=1S/C3H9N.2ClH/c1-2-3-4;;/h2-4H2,1H3;2*1H/p-1

2.1.3 InChIKey

MTURGQJJIULABB-UHFFFAOYSA-M

2.1.4 SMILES

CCC[NH3+].[Cl-].[Cl-]

2.2 Molecular Formula

C3H10Cl2N-

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
131.02 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
1
Property Name
Exact Mass
Property Value
130.0190297 g/mol
Property Name
Monoisotopic Mass
Property Value
130.0190297 g/mol
Property Name
Topological Polar Surface Area
Property Value
27.6 A^2
Property Name
Heavy Atom Count
Property Value
6
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
7.2
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
3
Property Name
Compound Is Canonicalized
Property Value
Yes

5 Information Sources

CONTENTS