2-[(Dimethylamino)methyl]benzene-1-carbonitrilium (Q82950673)

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chemical compound

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Language	Label	Description	Also known as
English	2-[(Dimethylamino)methyl]benzene-1-carbonitrilium	chemical compound

Statements

instance of

type of chemical entity

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subclass of

chemical compound

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chemical structure

2-((Dimethylamino)methyl)benzonitrile.svg
137 × 116; 22 KB

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mass

161.10732483609 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₀H₁₃N₂⁺

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based on heuristic

inferred from SMILES

canonical SMILES

CN(C)Cc1ccccc1C#[NH+]

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based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C10H12N2/c1-12(2)8-10-6-4-3-5-9(10)7-11/h3-6H,8H2,1-2H3/p+1

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InChIKey

LCBWEMRQKBKAEN-UHFFFAOYSA-O

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CAS Registry Number

53369-76-9

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ChemSpider ID

4143982

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PubChem CID

4962636

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7129361

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matched by identifier from

InChIKey

InChIKey

LCBWEMRQKBKAEN-UHFFFAOYSA-O

138399896

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matched by identifier from

InChIKey

InChIKey

LCBWEMRQKBKAEN-UHFFFAOYSA-O

UniChem compound ID

24584827

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stated in

UniChem

DSSTox substance ID

DTXSID70968002

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matched by identifier from

InChIKey

InChIKey

LCBWEMRQKBKAEN-UHFFFAOYSA-O

DSSTOX compound identifier

DTXCID101395594

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