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4-Cyanophenylhydrazine hydrochloride

CAT: 0013-GTR19246851-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19246851-01Size:25 g
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Description
4-Cyanophenylhydrazine hydrochloride is a biochemical reagent that can be used as a biomaterial for life science related research and as a sulfonylation reagent for organic synthesis and drug discovery.
CAS Number
2863-98-1
Smiles
Cl.N#CC1=CC=C (C=C1) NN
Molecular Formula
C7H8ClN3
Molecular Weight
169.61
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-Cyanophenylhydrazine Hydrochloride
CAS Number2863-98-1
PubChem CID16212962
IUPAC Name4-hydrazinylbenzonitrile;hydrochloride
Molecular FormulaC7H8ClN3
Molecular Weight169.61
Topological Polar Surface Area61.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity138
SMILES
C1=CC(=CC=C1C#N)NN.Cl
InChI
InChI=1S/C7H7N3.ClH/c8-5-6-1-3-7(10-9)4-2-6;/h1-4,10H,9H2;1H
InChIKey
UXDLLFIRCVPPQP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Cyanophenylhydrazine Hydrochloride
CAS: 2863-98-1
CID: 16212962
Formula: C7H8ClN3
MW: 169.61
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight169.61
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass169.0406750
Monoisotopic Mass169.0406750
Topological Polar Surface Area61.8 Ų
Heavy Atom Count11
Formal Charge0
Complexity138
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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