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Imidazole-4,5-Dicarboxamide

CAT: 0127-OR1028390Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR1028390Size:1 g
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CAS Number
83-39-6
Synonyms
1H-imidazole-4,5-dicarboxamide
Purity
97%
Smiles
C1=NC(=C(N1)C(=O)N)C(=O)N

Chemical Information

1H-Imidazole-4,5-dicarboxamide
CAS Number83-39-6
PubChem CID65745
IUPAC Name1H-imidazole-4,5-dicarboxamide
Molecular FormulaC5H6N4O2
Molecular Weight154.13
XLogP-2.1
Topological Polar Surface Area115
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity193
SMILES
C1=NC(=C(N1)C(=O)N)C(=O)N
InChI
InChI=1S/C5H6N4O2/c6-4(10)2-3(5(7)11)9-1-8-2/h1H,(H2,6,10)(H2,7,11)(H,8,9)
InChIKey
NNWAARLSYSBVPB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1H-Imidazole-4,5-dicarboxamide
CAS: 83-39-6
CID: 65745
Formula: C5H6N4O2
MW: 154.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight154.13
XLogP3-2.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass154.04907545
Monoisotopic Mass154.04907545
Topological Polar Surface Area115 Ų
Heavy Atom Count11
Formal Charge0
Complexity193
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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Alternative Products

CatalogName
sc-295178Imidazole-4,5-dicarboxamide
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