CAS 36954-03-7 Imidazolate (HCID 3386966)

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Basic information

CAS: 36954-03-7
Standard SMILES: c1c[n-]cn1
InChIKey: JBFYUZGYRGXSFL-UHFFFAOYSA-N
Molecular formula: C3H3N2-
Average molar mass: 67.07 g/mol
Monoisotopic mass: 67.03017168

Overview

Imidazolide is an organic nitrogen anion that is the conjugate base of 1H-imidazole. It is a conjugate base of a 1H-imidazole.

Names & identifiers

Preferred name: Imidazolate
IUPAC: imidazol-3-ide

Names & synonyms

imidazolateDTXSID20103274536954-03-7RefChem:1087193DTXCID801498236imidazolideimidazol-3-ideimidazolide anionimidazol-1-ideCHEBI:30366JBFYUZGYRGXSFL-UHFFFAOYSA-NQ21099655

Database identifiers

CAS: 36954-03-7
PubChem CID: 3386966
DTXSID: DTXSID201032745
ChEBI: CHEBI:30366
Nikkaji: J513.704G

Properties

Computed structural properties

XLogP: -0.1
Topological polar surface area: 13.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 5
Formal charge: -1
Complexity: 24.1

Related reactions

94 records

New reaction record

HRID 50191As reactantuspto-grants-2004_03

HRID 119676As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 166749As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 179402As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 179760As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 187299As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 197501As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 257571As reactantuspto-grants-1993_11

Compound notes

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