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CID 9570184

PubChem CID
9570184
Structure
CID 9570184_small.png
Preferred Compound
Molecular Formula
Status
Non-live
Molecular Weight
137.57 g/mol
Dates
  • Create:
    2006-10-24

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 9570184.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(E)-N'-carbamimidoylcarbamimidoyl]azanium;chloride

2.1.2 InChI

InChI=1S/C2H7N5.ClH/c3-1(4)7-2(5)6;/h(H7,3,4,5,6,7);1H

2.1.3 InChIKey

FKPUYTAEIPNGRM-UHFFFAOYSA-N

2.1.4 SMILES

C(=N/C(=N)N)(\[NH3+])/N.[Cl-]

2.2 Molecular Formula

C2H8ClN5

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
137.57 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
4
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
1
Property Name
Exact Mass
Property Value
137.0468230 g/mol
Property Name
Monoisotopic Mass
Property Value
137.0468230 g/mol
Property Name
Topological Polar Surface Area
Property Value
116 A^2
Property Name
Heavy Atom Count
Property Value
8
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
103
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
1
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

5 Information Sources

CONTENTS