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1-Cyanoimidazole

CAT: 0926-FC20648-01Size: 1000 mgDry Ice: NoHazardous: No
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CAT#:0926-FC20648-01Size:1000 mg
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CAS Number
36289-36-8
Synonyms
1H-Imidazole-1-carbonitrile;1-Cyano-1H-imidazole; N-Cyanoimidazole
MDL Number
MFCD00269955
Smiles
C1=CN (C=N1) C#N
Molecular Formula
C4H3N3
Molecular Weight
93.09 g/mol
Shipping Conditions
Dry Ice
Controlled
No

Chemical Information

N-Cyanoimidazole

structure given in first source

CAS Number36289-36-8
PubChem CID2735857
IUPAC Nameimidazole-1-carbonitrile
Molecular FormulaC4H3N3
Molecular Weight93.09
XLogP0.2
Topological Polar Surface Area41.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity101
SMILES
C1=CN(C=N1)C#N
InChI
InChI=1S/C4H3N3/c5-3-7-2-1-6-4-7/h1-2,4H
InChIKey
SLPWXZZHNSOZPX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Cyanoimidazole
CAS: 36289-36-8
CID: 2735857
Formula: C4H3N3
MW: 93.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight93.09
XLogP30.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass93.032697108
Monoisotopic Mass93.032697108
Topological Polar Surface Area41.6 Ų
Heavy Atom Count7
Formal Charge0
Complexity101
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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